SCHEMBL3899141

SCHEMBL3899141

CCOC(=O)c1nc(-c2ccccc2)c(C(F)(F)F)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.53
DHODH Q02127 4/20 0.53
HPGD P15428 2/20 0.51
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
MAPT P10636 3/20 0.49
CDC7 O00311 2/20 0.49
DBF4 Q9UBU7 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ADORA3 P0DMS8 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 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
SCHEMBL693401 0.80 ALDH1A1 (0.57) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL3900338 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL27777731 0.77 TRPM8 (0.60) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL7457281 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL7457268 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL1249510 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL5909564 0.75 PTGS2 (0.59) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL5909592 0.75 PTGS2 (0.59) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL6500653 0.74 ALDH1A1 (0.55) ALDH1A1HSD17B10DHODHHPGDRARA
SCHEMBL20077808 0.73 DHODH (0.45) ALDH1A1HSD17B10DHODHHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 ALDH1A1 1730/4885HSD17B10 1658/4885DHODH 2749/4885

“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.