SCHEMBL4601283

SCHEMBL4601283

COc1ccc(N(C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
TRPM8 Q7Z2W7 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ESR2 Q92731 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL22204353 0.94 TRPM8 (0.59) CA1CA2TRPM8CES2CES1
SCHEMBL978334 0.83 CA1 (0.50) CA1CA2TRPM8CES2CES1
SCHEMBL28332018 0.83 POLB (0.55) CA1CA2TRPM8CES2CES1
SCHEMBL10630540 0.81 KMT2A (0.56) MAPTKMT2AMEN1
SCHEMBL11540415 0.81 CES2 (0.48) CA1CA2TRPM8CES2CES1
SCHEMBL3458382 0.81 ALDH1A1 (0.53) CA1CA2CES2CES1MAPT
SCHEMBL3470955 0.81 CA1 (0.55) CA1CA2TRPM8CES2CES1
SCHEMBL10764342 0.81 NPC1 (0.51) CA1CA2TRPM8CES2CES1
SCHEMBL4589508 0.81 CES2 (0.48) CA1CA2TRPM8CES2CES1
SCHEMBL31393785 0.80 KMT2A (0.66) CA1CA2TRPM8CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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 (2 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB CA1 2225/4885CA2 1236/4885TRPM8 3920/4885
US-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 CA1 280/4885CA2 1639/4885TRPM8 1103/4885

“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.