SCHEMBL56111

SCHEMBL56111

C=S(C)(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA3 P07451 1/20 0.54
▸ CA6 P23280 1/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA5B Q9Y2D0 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10287690 0.81 GAA (0.62) GAACA1CA2CA12CA3
SCHEMBL12807 0.78 GAA (0.65) GAACA1CA2CA12CA3
SCHEMBL28182477 0.78 GAA (0.65) GAACA1CA2CA12CA3
SCHEMBL8780038 0.77 PTGS2 (0.57) GAACA1CA2CA12CA3
SCHEMBL904300 0.77 GAA (0.56) GAACA1CA2CA12CA3
SCHEMBL8320274 0.76 HTR6 (0.52) CA1CA2CA12CA3CA6
Iodide SCHEMBL10338838 0.76 GAA (0.62) GAACA1CA2CA12CA3
Water SCHEMBL17653839 0.76 GAA (0.62) GAACA1CA2CA12CA3
SCHEMBL514614 0.76 GAA (0.62) GAACA1CA2CA12CA3
SCHEMBL547554 0.75 GAA (0.68) GAACA1CA2CA12CA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017135472-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EAファーマ株式会社 2017-08-10 — — WO disclosed
US-20170158880-A1 ABSORPTIVE PIGMENTS COMPRISING GRAPHENIC CARBON PARTICLES PPG INDUSTRIES OHIO, INC. 2017-06-08 — — US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — US disclosed
US-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 — — US disclosed
US-9475946-B2 Graphenic carbon particle co-dispersions and methods of making same PPG INDUSTRIES OHIO, INC. (US) 2016-10-25 — — US disclosed
US-20160304525-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-10-20 — — US disclosed
US-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN PURDUE RESEARCH FOUNDATION 2016-09-22 — — US disclosed
US-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN PURDUE RESEARCH FOUNDATION 2016-09-22 — — US disclosed
US-20160145265-A1 METHOD AND APPARATUS FOR THE SYNTHESIS OF DIHYDROARTEMISININ AND ARTEMISININ DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-05-26 — — US disclosed
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-26 — — US disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 — — US disclosed
EP-2173717-B1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL MYERS SQUIBB CO (US) 2013-03-27 — — EP disclosed
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-17 — — US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 — — US disclosed
US-20120308724-A1 COATING COMPOSITIONS THAT TRANSMIT INFRARED RADIATION AND EXHIBIT COLOR STABILITY AND RELATED COATING SYSTEMS PPG IDUSTRIES OHIO, I NC. (US) 2012-12-06 — — US disclosed
US-8129466-B2 efficient dispersion of organic or inorganic pigment particles, in a tri-block copolymer having a first block of glycidyl (meth)acrylate reacted with 3-hydroxy-2-napthoic Acid, second and third blocks of butyl methacrylate, hydroxypropyl methacrylate, butyl acrylate; coatings, inks, primer, topcoat PPG INDUSTRIES OHIO, INC (US) 2012-03-06 — — US disclosed
US-20110190409-A1 LADDER POLYMERS WITH INSTRINSIC MICROPOROSITY AND PROCESS FOR PRODUCTION THEREOF NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-08-04 — — US disclosed
US-20100047620-A1 SOLAR REFLECTIVE COATINGS AND COATING SYSTEMS PPG INDUSTRIES OHIO, INC. (US) 2010-02-25 — — US disclosed
US-20080188610-A1 PIGMENT DISPERSANT PPG INDUSTRIES OHIO, INC. (US) 2008-08-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 GAA 829/4885CA1 4043/4885CA2 1334/4885
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 347/4885CA1 4884/4885CA2 2789/4885
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 GAA 879/4885CA1 3921/4885CA2 1669/4885
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 347/4885CA1 4884/4885CA2 2789/4885
US-20160304525-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents FOLR1, TUBB1, TUBA1C GAA 3877/4885CA1 4150/4885CA2 2743/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GAA 339/4885CA1 4884/4885CA2 2614/4885
US-20110190409-A1 LADDER POLYMERS WITH INSTRINSIC MICROPOROSITY AND PROCESS FOR PRODUCTION THEREOF CCR3, CNOT9, AR GAA 4529/4885CA1 3814/4885CA2 3773/4885
US-20160145265-A1 METHOD AND APPARATUS FOR THE SYNTHESIS OF DIHYDROARTEMISININ AND ARTEMISININ DERIVATIVES ADH1A, DHODH, DHPS GAA 1510/4885CA1 665/4885CA2 2503/4885
US-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN ADCY1, ADCY2, ADCY5 GAA 2153/4885CA1 2851/4885CA2 832/4885
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPBAR1, TACR1 GAA 1517/4885CA1 4694/4885CA2 3300/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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