SCHEMBL1676898

SCHEMBL1676898

O=C(O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MDM2 Q00987 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
P2RX3 P56373 4/20 0.35
ERBB2 P04626 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GCGR P47871 4/20 0.35
TLR8 Q9NR97 1/20 0.35
HPSE Q9Y251 1/20 0.34
LTA4H P09960 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL1676897 1.00 EGFR (0.37) EGFRCNR1CNR2MDM2PPARD
SCHEMBL1676245 0.93 GCGR (0.39) EGFRCNR1CNR2MDM2PPARD
SCHEMBL1676243 0.93 GCGR (0.39) EGFRCNR1CNR2MDM2PPARD
SCHEMBL1676644 0.93 CNR1 (0.37) EGFRCNR1CNR2MDM2P2RX3
SCHEMBL1676645 0.93 CNR1 (0.37) EGFRCNR1CNR2MDM2P2RX3
SCHEMBL1676533 0.87 CNR1 (0.38) EGFRCNR1CNR2MDM2PPARD
SCHEMBL1676529 0.87 CNR1 (0.38) EGFRCNR1CNR2MDM2PPARD
SCHEMBL1676947 0.86 P2RX3 (0.34) CNR1P2RX3
SCHEMBL1676946 0.86 P2RX3 (0.34) CNR1P2RX3
SCHEMBL1676760 0.83 TGM2 (0.40) EGFRCNR1CNR2

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE EGFR 2135/4885CNR1 3344/4885CNR2 3387/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE EGFR 2135/4885CNR1 3344/4885CNR2 3387/4885

“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.