SCHEMBL4648549

SCHEMBL4648549

CCc1ccc(S(N)(=O)=O)s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.47
LOX P28300 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL4645445 0.84 CA2 (0.44) CA2LOXCA12CA1CA9
SCHEMBL22013622 0.81 LOX (0.40) LOXL3MBTL1LOXL2KMT2AMAOA
SCHEMBL10167828 0.81 LOX (0.59) CA2LOXLOXL2MAOA
SCHEMBL18643569 0.81 LOX (0.59) LOXL3MBTL1LOXL2KMT2AMAOA
SCHEMBL8632622 0.80 CA2 (0.49) CA2LOX
SCHEMBL2010210 0.79 CA2 (0.56) CA2LOXCA12CA1CA9
SCHEMBL3005886 0.79 L3MBTL1 (0.43) LOXL3MBTL1LOXL2KMT2AMAOA
SCHEMBL38666703 0.79 CA2 (0.47) CA2LOXCA12CA1CA9
SCHEMBL2117188 0.79 L3MBTL1 (0.43) LOXL3MBTL1LOXL2KMT2AMAOA
SCHEMBL25034033 0.79 CA2 (0.52) CA2LOXCA12CA1CA9

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
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
CN-1863789-B Substituted isoquinolinones PORTOLA PHARM INC 2010-06-09 CN disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
CN-1575286-A Thiophene-amd thiazolesulfonamides as antineoplastic agents LILLY CO ELI (US) 2005-02-02 CN disclosed
US-20040198784-A1 Thiophene-amd thiazolesulfonamides as antineoplastic agents GROSSMAN CORA SUE (US) 2004-10-07 US disclosed
EP-1442030-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2004-08-04 EP disclosed
WO-2003035629-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2003-05-01 WO disclosed
US-5302724-A Thiophenesulfonylureas; anticarcinogenic agents ELI LILLY AND COMPANY (US) 1994-04-12 US disclosed
CN-1058401-A Anti-tumor compositions and methods of treatment LILLY CO ELI (US) 1992-02-05 CN disclosed
EP-0467613-A1 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1992-01-22 EP 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 (8 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R CA2 4801/4885LOX 3815/4885L3MBTL1 2973/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 CA2 236/4885LOX 1017/4885L3MBTL1 4042/4885
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 CA2 46/4885LOX 2942/4885L3MBTL1 4206/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CA2 196/4885LOX 1178/4885L3MBTL1 4566/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CA2 196/4885LOX 1178/4885L3MBTL1 4566/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA2 196/4885LOX 1178/4885L3MBTL1 4566/4885
US-20040198784-A1 Thiophene-amd thiazolesulfonamides as antineoplastic agents ALDH1A2, MGMT, NR2E3 CA2 2965/4885LOX 4603/4885L3MBTL1 4308/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 CA2 269/4885LOX 927/4885L3MBTL1 4771/4885

“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.