SCHEMBL2643401

SCHEMBL2643401

CCc1c(C(=O)O)[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.60
PRNP P04156 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
PPARG P37231 1/20 0.60
HIF1A Q16665 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
NR2E3 Q9Y5X4 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
PTGS2 P35354 2/20 0.59
PTGS1 P23219 1/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.50
MDM2 Q00987 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49

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
SCHEMBL3036074 0.84 KDM4E (0.74) CYP2C9PRNPCYP1A2CYP2C19PPARG
SCHEMBL8959541 0.78 PRNP (0.69) CYP2C9PRNPCYP1A2CYP2C19PPARG
SCHEMBL9662514 0.77 PTGS2 (0.54) PTGS2PTGS1KDM4E
SCHEMBL6286696 0.77 AKR1C2 (0.72) CYP2C9NPSR1PTGS2PTGS1KDM4E
SCHEMBL3107611 0.76 PRNP (0.71) CYP2C9PRNPCYP1A2CYP2C19PPARG
SCHEMBL1553071 0.76 NPSR1 (0.71) CYP2C9PRNPCYP1A2CYP2C19PPARG
SCHEMBL9661003 0.76 GPR17 (0.48) PTGS2PTGS1ALDH1A1HSD17B10POLB
SCHEMBL31025911 0.76 KIF11 (0.52) NPSR1PTGS2PTGS1KDM4EALDH1A1
SCHEMBL1894184 0.75 RXFP1 (1.00) CYP2C9PRNPCYP1A2CYP2C19PPARG
SCHEMBL2538695 0.75 PRNP (0.69) CYP2C9PRNPCYP1A2CYP2C19PPARG

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-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R CYP2C9 3351/4885PRNP 4753/4885CYP1A2 1260/4885

“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.