SCHEMBL2484166

SCHEMBL2484166

COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
CFTR P13569 1/20 0.50
NOTUM Q6P988 2/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 1/20 0.45
RXRA P19793 1/20 0.44

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
SCHEMBL12255362 0.92 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL17197997 0.85 KDM4E (0.64) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL2482898 0.83 NOTUM (0.48) KDM4EALDH1A1CFTRNOTUMAKR1C3
SCHEMBL2387047 0.83 NOTUM (0.61) KDM4EALDH1A1HSD17B10CFTRNOTUM
SCHEMBL28581732 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL21358540 0.80 RORC (0.51) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL5206695 0.80 ABCG2 (0.54) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL2389365 0.79 RXRA (0.65) CFTRNOTUMRXRARXRBRXRG
SCHEMBL2686505 0.78 EGFR (0.61) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL16107684 0.78 CFTR (0.54) KDM4EALDH1A1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO 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 (1 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 KDM4E 2776/4885ALDH1A1 1230/4885HPGD 1194/4885

“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.