Sugi Predict

Sugi Predict / Compounds / SCHEMBL1031333

SCHEMBL1031333

SCHEMBL1031333

Cc1[c]scc1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CNR2 P34972 2/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA3 P07451 2/20 0.38
▸ CA4 P22748 2/20 0.38

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
SCHEMBL13990269 0.71 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL9398076 0.69 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL4328031 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL22742 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL2122579 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL9313173 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL7635059 0.68 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL4115807 0.68 CA2 (0.47) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL13990664 0.68 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPK1KDM4EHPGD
SCHEMBL811061 0.68 ALDH1A1 (0.76) ALDH1A1CYP3A4MAPK1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — US claimed
JP-2009520720-A — — 2009-05-28 — — JP claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 — — EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 — — WO claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP disclosed
US-20110059981-A9 New Pyridine Analogues V ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 — — EP disclosed
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 — — US disclosed
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 — — US disclosed
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 — — US disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed
US-7151102-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-12-19 — — US disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 — — WO disclosed
US-20060142293-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 — — US disclosed
EP-1330442-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2003-07-30 — — EP disclosed
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2002-12-05 — — US disclosed
WO-2002036576-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2002-05-10 — — 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 (6 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-20060142293-A1 Phthalazinone derivatives CBR1, CBR3, PARP2 ALDH1A1 466/4885CYP3A4 2601/4885MAPK1 3651/4885
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives PARP1, PARP11, PARP3 ALDH1A1 208/4885CYP3A4 3648/4885MAPK1 4004/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 ALDH1A1 1691/4885CYP3A4 728/4885MAPK1 783/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R ALDH1A1 1333/4885CYP3A4 19/4885MAPK1 4199/4885
US-20110059981-A9 New Pyridine Analogues V P2RY12, P2RY11, P2RY13 ALDH1A1 2262/4885CYP3A4 466/4885MAPK1 1031/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 ALDH1A1 1782/4885CYP3A4 1113/4885MAPK1 527/4885

“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.