SCHEMBL1736020

SCHEMBL1736020

Cc1cc(CS(N)(=O)=O)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 6/20 0.50
CA9 Q16790 6/20 0.50
CA5A P35218 4/20 0.50
SKP2 Q13309 1/20 0.50
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
KIF11 P52732 1/20 0.40
S100B P04271 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
AR P10275 1/20 0.39
BRD4 O60885 1/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL1654641 0.86 SKP2 (0.52) CA2CA1CA9CA5ASKP2
SCHEMBL24415722 0.84 CA2 (0.53) CA2CA1CA9CA5AALDH1A1
SCHEMBL8118864 0.81 CA2 (0.50) CA2CA1CA9CA5AKIF11
SCHEMBL3590286 0.79 CA1 (0.49) CA2CA1CA9CA5ATSHR
SCHEMBL12158313 0.78 SKP2 (0.44) CA2CA1CA9CA5ASKP2
SCHEMBL3217315 0.76 CA2 (0.49) CA2CA1CA9CA5AKIF11
SCHEMBL9027014 0.75 SKP2 (0.57) SKP2ALDH1A1CYP3A4TDP1TSHR
SCHEMBL841783 0.74 SKP2 (0.73) SKP2ALDH1A1CYP3A4TDP1TSHR
SCHEMBL31079561 0.74 SKP2 (0.61) SKP2ALDH1A1CYP3A4TDP1TSHR
SCHEMBL31634603 0.74 SKP2 (0.73) SKP2ALDH1A1CYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 EP disclosed
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 EP disclosed
US-20110262430-A1 NOVEL ANTIBODIES ELLIS JONATHAN HENRY 2011-10-27 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
EP-1885722-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2008-02-13 EP disclosed
WO-2006122403-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2006-11-23 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-20090099226-A1 Quinoline derivatives as ep4 antagonists PTGER4, PTGER1, PTGER3 CA2 1459/4885CA1 2636/4885CA9 2062/4885

“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.