SCHEMBL544641

SCHEMBL544641

CC(C)(C)OC(=O)Nc1sccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.52
FABP5 Q01469 1/20 0.52
BCAT2 O15382 1/20 0.44
METAP1 P53582 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
BRD9 Q9H8M2 1/20 0.42
ACLY P53396 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PRKCZ Q05513 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GRIN2C Q14957 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL9099871 0.82 KMT2A (0.67) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL29770873 0.80 ALDH1A1 (0.60) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13398531 0.79 METAP1 (0.47) METAP1KMT2ABRD9LMNARXFP1
SCHEMBL544656 0.79 AKT1 (0.42) MEN1KMT2ABRD9ALDH1A1LMNA
SCHEMBL1703501 0.78 PTPN2 (0.58) METAP1MEN1KMT2AACLYALDH1A1
SCHEMBL28444082 0.78 CHRM3 (0.52) MEN1KMT2ABRD9ALDH1A1LMNA
SCHEMBL19066183 0.78 CHRM3 (0.50) KDM4E
SCHEMBL9291119 0.78 METAP1 (0.50) METAP1MEN1KMT2ABRD9LMNA
SCHEMBL2928945 0.78 CA12 (0.45) METAP1MEN1KMT2AHPGDNPC1
SCHEMBL399013 0.76 METAP1 (0.43) METAP1MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353102-B2 Non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2016-05-31 US disclosed
US-9353102-B2 Non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2016-05-31 US disclosed
EP-2895481-A1 NON-ANNULATED THIOPHENYLAMIDES AS INHIBITORS OF FATTY ACID BINDING PROTEINI(FABP) 4 AND/OR 5 F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
US-20150183778-A1 New non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2015-07-02 US disclosed
US-20150183778-A1 New non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2015-07-02 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
WO-2014040938-A1 NON-ANNULATED THIOPHENYLAMIDES AS INHIBITORS OF FATTY ACID BINDING PROTEINI(FABP) 4 AND/OR 5 F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 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 (4 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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 FABP4 4187/4885FABP5 3102/4885BCAT2 3218/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 FABP4 4187/4885FABP5 3102/4885BCAT2 3218/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP FABP4 4107/4885FABP5 2469/4885BCAT2 1399/4885
US-20150183778-A1 New non-annulated thiophenylamides NAT1, NCL, NTSR1 FABP4 4443/4885FABP5 4326/4885BCAT2 2954/4885

“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.