SCHEMBL3059991

SCHEMBL3059991

O=S(=O)(O)c1sccc1Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
CES1 P23141 1/20 0.30
LMNA P02545 1/20 0.30

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
Hydrochloric Acid SCHEMBL28079593 0.98 POLB (0.33) POLBCA1CA2CA12CA7
SCHEMBL1927671 0.81 CA2 (0.41) POLBCA1CA2CA12CA7
SCHEMBL7335685 0.81 POLB (0.32) POLBCA1CA2CA12CA7
SCHEMBL8229612 0.78 CA1 (0.45) POLBCA1CA2CA12CA7
SCHEMBL1927669 0.77 POLB (0.31) POLBCA1CA2CA12CA7
SCHEMBL1927038 0.77 ALDH1A1 (0.31) POLBCA1CA2CA12CA7
SCHEMBL23569219 0.74 CA2 (0.35) CA1CA2CA12CA7CA9
SCHEMBL3467639 0.73 MAPT (0.34) CA1CA2TSHRSMN1; SMN2MMP1
SCHEMBL27402677 0.73 ALDH1A1 (0.38) CA1CA2TSHRSMN1; SMN2MMP1
SCHEMBL18701621 0.73 LMNA (0.32) CA1CA2TSHRSMN1; SMN2MMP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1665802-A Bisarylsulfonamide compounds and their use in cancer therapy CYCLACEL LTD (GB) 2005-09-07 CN claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
CN-101842367-A Heterocyclic compounds and pharmaceutical compositions thereof OTSUKA PHARMA CO LTD 2010-09-22 CN disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
CN-101547908-A Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN disclosed
CN-101437818-A Novel Dual Acting Receptor Antagonists (DARA) for AT1 and ETA receptors TORRENT PHARMACEUTICALS LTD (IN) 2009-05-20 CN disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO disclosed
EP-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO disclosed
CN-1665802-A Bisarylsulfonamide compounds and their use in cancer therapy CYCLACEL LTD (GB) 2005-09-07 CN disclosed
US-6890956-B2 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2005-05-10 US disclosed
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-06-24 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 (3 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 POLB 4006/4885CA1 1390/4885CA2 1345/4885
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 POLB 2866/4885CA1 4264/4885CA2 1287/4885
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors BACE1, BACE2, APP POLB 1762/4885CA1 485/4885CA2 3238/4885

“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.