Sugi Predict

Sugi Predict / Compounds / SCHEMBL2178523

SCHEMBL2178523

SCHEMBL2178523

Cc1ccc(F)c(C(=O)Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CES2 O00748 4/20 0.37
▸ CES1 P23141 4/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CCNB2 O95067 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNB3 Q8WWL7 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ INSR P06213 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GSK3A P49840 1/20 0.35

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
SCHEMBL1022860 0.82 CES2 (0.46) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL1164327 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15CES2CES1HDAC1
SCHEMBL1164172 0.82 ALDH1A1 (0.48) ALDH1A1HPGDGAAMAPTADRA2A
SCHEMBL1018937 0.81 MEN1 (0.42) CES2CES1HPGDCCNB2CDK1
SCHEMBL697516 0.81 PKM (0.39) CES2CES1HPGDCCNB2CDK1
SCHEMBL853195 0.80 ADRA2A (0.38) ALDH1A1ALOX15CES2CES1MAPK1
SCHEMBL25046254 0.79 CES2 (0.37) CES2CES1HPGDCCNB2CDK1
SCHEMBL9789269 0.79 CCNB2 (0.38) ALDH1A1CES2CES1HPGDCCNB2
SCHEMBL28157959 0.79 GAA (0.35) CES2CES1HPGDCCNB2CDK1
SCHEMBL1197627 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422231-B2 Method for inhibiting Trypanosoma cruzi HOWARD UNIVERSITY (US) 2016-08-23 — — US disclosed
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI HOWARD UNIVERRSITY (US) 2015-03-12 — — US disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 — — US disclosed
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY 2014-11-13 — — US disclosed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 — — US disclosed
WO-2013016661-A1 METHOD FOR INHIBITING TRYPANSOMA CRUZI HOWARD UNIVERSITY (US) 2013-01-31 — — WO disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 — — US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 — — EP disclosed
US-8232285-B2 Quinazolinone compounds and methods of use thereof ARQULE, INC. (US) 2012-07-31 — — US disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 — — WO disclosed
EP-1828185-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 — — EP disclosed
EP-1712550-A2 Substituted triazole diamine derivatives as kinase inhibitors Ortho-McNeil Pharmaceutical, Inc. (US) 2006-10-18 — — EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 — — WO disclosed
EP-1355889-B1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-06-07 — — EP disclosed
US-20050182116-A1 Substituted triazole diamine derivatives as kinase inhibitors LIN RONGHUI (US) 2005-08-18 — — US disclosed
US-6924302-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-02 — — US disclosed
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-22 — — US disclosed
EP-1355889-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-10-29 — — EP disclosed
WO-2002057240-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS ORTHO MC NEIL PHARMACEUTICAL, INC. (US) 2002-07-25 — — WO disclosed
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 — — 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 (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-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4247/4885ALOX15 3974/4885CES2 3799/4885
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS LSS, CYP51A1, NQO1 ALDH1A1 911/4885ALOX15 1136/4885CES2 262/4885
US-20050182116-A1 Substituted triazole diamine derivatives as kinase inhibitors MAP2K2, PRKDC, MAP2K3 ALDH1A1 3967/4885ALOX15 4835/4885CES2 3344/4885
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI PCNA, NQO1, NQO2 ALDH1A1 1806/4885ALOX15 1349/4885CES2 1214/4885
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors MAP2K2, PRKDC, MAP2K3 ALDH1A1 3967/4885ALOX15 4835/4885CES2 3344/4885
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT ALDH1A1 715/4885ALOX15 435/4885CES2 869/4885

“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.