SCHEMBL1650349

SCHEMBL1650349

NS(=O)(=O)CCc1ccc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ RECQL P46063 1/20 0.46
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2A6 P11509 2/20 0.41
▸ AHR P35869 3/20 0.41
▸ NR4A2 P43354 2/20 0.41
▸ F7 P08709 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RAD51 Q06609 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP17A1 P05093 1/20 0.40

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
SCHEMBL4414373 0.91 HDAC1 (0.52) CA12CA1CA2CA9HDAC1
SCHEMBL9269708 0.84 HDAC1 (0.51) CA12CA1CA2CA9HDAC1
SCHEMBL28853829 0.84 PTGS2 (0.53) CA12CA1CA2CA9HDAC1
SCHEMBL1650589 0.83 CA1 (0.51) CA12CA1CA2CA9HDAC1
SCHEMBL30155019 0.83 CA1 (0.51) CA12CA1CA2CA9HDAC1
SCHEMBL8666600 0.80 HDAC1 (0.55) CA1CA2HDAC1HDAC8CYP19A1
SCHEMBL1275476 0.80 HDAC1 (0.48) CA12CA1CA2CA9HDAC1
SCHEMBL9800386 0.80 HDAC1 (0.45) CA12CA1CA2CA9HDAC1
Sulfuric Acid SCHEMBL1491064 0.79 CA1 (0.48) CA12CA1CA2CA9HDAC1
SCHEMBL1457933 0.79 CYP19A1 (0.48) CA12CA1CA2CA9HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655912-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF ELEVATED INTRAOCULAR PRESSURE GLAXO GROUP LIMITED (GB) 1995-06-07 — — EP claimed
WO-1994003162-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF ELEVATED INTRAOCULAR PRESSURE GLAXO GROUP LIMITED (GB) 1994-02-17 — — WO claimed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
WO-2010004580-A2 PROCESS FOR PREPARING INDOLE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2010-01-14 — — WO disclosed
US-20090311249-A1 Capecitabine Combination Therapy ARIAD PHARMACEUTICALS, INC. 2009-12-17 — — US disclosed
WO-2009118753-A2 PROCESS FOR PREPARATION OF NARATRIPTAN HYDROCHLORIDE USV LIMITED (IN) 2009-10-01 — — WO disclosed
EP-1545462-A4 DENDRIMERS AS MOLECULAR TRANSLOCATORS UNIV CALIFORNIA (US) 2007-08-08 — — EP disclosed
EP-1744784-A2 FORMULATIONS OF ANTI-PAIN AGENTS AND METHODS OF USING THE SAME Becton, Dickinson and Company (US) 2007-01-24 — — EP disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 — — US disclosed
EP-0927159-A1 POLYDITHIOCARBAMATE-CONTAINING MACROMOLECULES AND THE USE THEREOF FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS Medinox, Inc. (US) 1999-07-07 — — EP disclosed
US-5916910-A Conjugates of dithiocarbamates with pharmacologically active agents and uses therefore MEDINOX, INC. (US) 1999-06-29 — — US disclosed
WO-1998055453-A1 CONJUGATES OF DITHIOCARBAMATES WITH PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR MEDINOX, INC. (US) 1998-12-10 — — WO disclosed
EP-0866695-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS Medinox, Inc. (US) 1998-09-30 — — EP disclosed
WO-1998011066-A1 POLYDITHIOCARBAMATE-CONTAINING MACROMOLECULES AND THE USE THEREOF FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MEDINOX, INC. (US) 1998-03-19 — — WO disclosed
WO-1998009626-A1 METHODS FOR IN VIVO REDUCTION OF IRON LEVELS AND COMPOSITIONS USEFUL THEREFOR MEDINOX, INC. (US) 1998-03-12 — — WO disclosed
WO-1997018805-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS MEDINOX, INC. (US) 1997-05-29 — — WO disclosed
EP-0655912-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF ELEVATED INTRAOCULAR PRESSURE GLAXO GROUP LIMITED (GB) 1995-06-07 — — EP disclosed
WO-1994003162-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF ELEVATED INTRAOCULAR PRESSURE GLAXO GROUP LIMITED (GB) 1994-02-17 — — WO 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 (2 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-20090311249-A1 Capecitabine Combination Therapy RICTOR, MTOR, EIF4E CA12 2592/4885CA1 4199/4885CA2 3100/4885
US-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO CA12 4480/4885CA1 4290/4885CA2 2620/4885

“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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