SCHEMBL5093232

SCHEMBL5093232

O=C(O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
PPARA Q07869 1/20 0.48
GCGR P47871 1/20 0.45
GIPR P48546 1/20 0.45
PTGER4 P35408 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FAAH O00519 1/20 0.43
EPHX2 P34913 1/20 0.43
DAO P14920 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
PLA2G4A P47712 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
SCHEMBL5089993 0.89 CCR6 (0.53) PPARAGCGRPTGER4MRGPRX4GPR84
SCHEMBL5094902 0.85 GCGR (0.58) GCGRGIPRTRPV1
SCHEMBL5101631 0.79 TRPV1 (0.48) AURKATPX2PPARAGCGRGIPR
SCHEMBL505538 0.78 AURKA (0.69) AURKATPX2PPARAMRGPRX4FAAH
SCHEMBL2667003 0.76 CA1 (0.51) PTGER4
SCHEMBL2655499 0.76 CA12 (0.42) AURKATPX2PPARAPTGER4FFAR4
SCHEMBL2667079 0.74 GCGR (0.57) GCGRGIPREPHX2TRPV1
SCHEMBL2667041 0.74 GCGR (0.57) GCGRGIPRTRPV1
SCHEMBL2541537 0.74 SLC6A2 (0.49) AURKATPX2PPARAPTGER4MRGPRX4
SCHEMBL219654 0.73 EPHX2 (0.68) AURKATPX2MRGPRX4FAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 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 (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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 AURKA 4685/4885TPX2 1487/4885PPARA 97/4885

“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.