SCHEMBL846596

SCHEMBL846596

CC(C)(C)OC(=O)CNc1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
AGTR1 P30556 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTPRC P08575 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
POLB P06746 2/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL1688815 0.90 POLB (0.47) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL7438829 0.86 ALDH1A1 (0.57) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL303932 0.85 PKM (0.46) MAPTALDH1A1RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL1169286 0.83 PKM (0.45) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL1039226 0.83 MAPT (0.47) MAPTALDH1A1AGTR1TDP1MEN1
SCHEMBL7251960 0.83 ALDH1A1 (0.53) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL9080144 0.83 LIPG (0.46) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL24224237 0.82 PTPRC (0.57) MAPTRAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL9135786 0.82 MAPT (0.52) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5807704 0.82 POLB (0.42) MAPTALDH1A1RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY 2022-09-29 US disclosed
EP-2300481-B1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME (US) 2015-09-30 EP disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
EP-2300481-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 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 (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-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES NSUN3, TARBP1, TRDMT1 MAPT 3465/4885ALDH1A1 3034/4885RAB9A 3868/4885
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES APBA1, APP, BACE1 MAPT 23/4885ALDH1A1 2376/4885RAB9A 4035/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 MAPT 4519/4885ALDH1A1 1216/4885RAB9A 2453/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 MAPT 4519/4885ALDH1A1 1216/4885RAB9A 2453/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT MAPT 107/4885ALDH1A1 509/4885RAB9A 3938/4885

“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.