SCHEMBL3920156

SCHEMBL3920156

COC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
RXFP1 Q9HBX9 8/20 0.54
PTGS1 P23219 1/20 0.53
ELANE P08246 1/20 0.51
PRTN3 P24158 1/20 0.51
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
HPGD P15428 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL1937228 0.89 GAA (0.62) RXFP1PTGS1KMT2ARAB9AMEN1
SCHEMBL7323880 0.86 PTGS1 (0.59) TSHRCYP1A2CYP2D6CYP2C19RXFP1
SCHEMBL9129050 0.85 TSHR (0.61) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL204144 0.84 HSD17B10 (0.54) TSHRCYP1A2CYP2D6CYP2C19RXFP1
SCHEMBL505555 0.83 NPC1 (0.61) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL207099 0.82 TSHR (0.52) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL4831188 0.79 CYP1A2 (0.54) TSHRCYP1A2CYP2D6CYP2C19RXFP1
SCHEMBL205252 0.77 ALDH1A1 (0.67) TSHRRXFP1KMT2ANPC1RAB9A
SCHEMBL7034528 0.76 TRPV1 (0.56) TSHRCYP1A2CYP2D6CYP2C19RXFP1
SCHEMBL204780 0.76 MKNK1 (0.54) TSHRCYP1A2CYP2D6CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD TSHR 387/4885CYP1A2 642/4885CYP2D6 848/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD TSHR 365/4885CYP1A2 583/4885CYP2D6 894/4885

“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.