SCHEMBL1101896

SCHEMBL1101896

CCN1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 18/20 1.00
CA9 Q16790 17/20 1.00
ELANE P08246 1/20 0.69
CA2 P00918 7/20 0.66
ALDH1A1 P00352 1/20 0.63
CYP2C19 P33261 1/20 0.63
CA1 P00915 1/20 0.62

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
SCHEMBL30834902 1.00 CA12 (1.00) CA12CA9ELANECA2ALDH1A1
SCHEMBL698407 0.86 CA9 (1.00) CA12CA9ELANECA2ALDH1A1
SCHEMBL6958970 0.83 CA12 (0.71) CA12CA9ELANECA2CA1
SCHEMBL7903703 0.83 CA9 (1.00) CA12CA9ELANECA2ALDH1A1
SCHEMBL1758371 0.82 CA9 (1.00) CA12CA9ELANECA2ALDH1A1
SCHEMBL7281348 0.81 CA12 (0.69) CA12CA9ELANECA2CA1
SCHEMBL356403 0.81 CA12 (0.69) CA12CA9ELANECA2
SCHEMBL8865776 0.81 CA12 (0.69) CA12CA9ELANECA2CA1
SCHEMBL5899155 0.81 ELANE (1.00) CA12CA9ELANECA2CA1
SCHEMBL7290946 0.81 CA12 (0.69) CA12CA9ELANECA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274781-B1 POLYCARBONATE COMPOSITION RESISTANT TO GAMMA RADIATION BAYER AG (US) 2004-12-15 EP claimed
WO-2023166039-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR Lasß Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-09-07 WO disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
EP-2316831-B1 2-(morpholin-4-yl)pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer NOVARTIS AG (CH) 2013-03-06 EP disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-7459016-B2 Method for the production of phthalocyanine pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-12-02 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7279514-B2 High-molecular-weight polymeric material comprising diketopyrrolopyrrole pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-10-09 US disclosed
US-7279514-B2 High-molecular-weight polymeric material comprising diketopyrrolopyrrole pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7255734-B2 Phthalocyanine pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-08-14 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (4 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 CA12 2428/4885CA9 1929/4885ELANE 2497/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO CA12 4729/4885CA9 4167/4885ELANE 14/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CA12 2428/4885CA9 1929/4885ELANE 2497/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CA12 2428/4885CA9 1929/4885ELANE 2497/4885

“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.