Sugi Predict

Sugi Predict / Compounds / SCHEMBL513342

SCHEMBL513342

SCHEMBL513342

CS(=O)(=O)Cc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PNMT P11086 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.44

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
SCHEMBL6011772 0.83 PNMT (0.52) ALDH1A1KDM4EMAPTTSHRPNMT
SCHEMBL1194386 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL5730518 0.82 PNMT (0.41) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL14378218 0.81 KMT2A (0.53) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL2376693 0.80 AKR1B1 (0.51) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL3028541 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL5963 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL24011106 0.79 TAAR1 (0.50) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL647765 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL513341 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 — — EP claimed
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 — — US claimed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 — — US claimed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 — — US claimed
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 — — US claimed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 — — US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 — — US claimed
JP-2007505920-A — — 2007-03-15 — — JP claimed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 — — EP claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 — — US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 — — US claimed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO claimed
JP-2002539201-A — — 2002-11-19 — — JP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO claimed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 — — EP claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ALDH1A1 4046/4885KDM4E 4386/4885MAPT 2065/4885
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE ALDH1A1 4046/4885KDM4E 4386/4885MAPT 2065/4885
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE ALDH1A1 1944/4885KDM4E 3927/4885MAPT 3153/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ ALDH1A1 3027/4885KDM4E 2918/4885MAPT 2414/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE ALDH1A1 1944/4885KDM4E 3927/4885MAPT 3153/4885

“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.