SCHEMBL1887547

SCHEMBL1887547

CCCc1nc2cc(N(Cc3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
GNRHR P30968 6/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RORC P51449 3/20 0.38
PPARG P37231 1/20 0.37
CNR2 P34972 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36

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
SCHEMBL1888276 0.93 GNRHR (0.44) TRPM8KDM4EALDH1A1LMNACYP3A4
SCHEMBL1887957 0.91 GNRHR (0.48) TRPM8ALDH1A1LMNAGAAGNRHR
SCHEMBL1883832 0.91 GNRHR (0.44) TRPM8ALDH1A1LMNAGAAGNRHR
SCHEMBL1891095 0.90 TRPM8 (0.49) TRPM8KDM4EALDH1A1LMNACYP3A4
SCHEMBL1884995 0.90 GNRHR (0.45) TRPM8ALDH1A1GAAGNRHRCNR2
SCHEMBL1883538 0.87 CNR2 (0.47) TRPM8GNRHRCNR2PSEN1PSEN2
SCHEMBL1890955 0.87 TRPM8 (0.45) TRPM8KDM4EALDH1A1LMNACYP3A4
SCHEMBL1887598 0.87 GNRHR (0.47) TRPM8ALDH1A1GAAGNRHR
SCHEMBL1888006 0.86 TRPM8 (0.47) TRPM8GNRHR
SCHEMBL1893088 0.86 GNRHR (0.41) TRPM8KDM4EALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 EP disclosed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 EP disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 US disclosed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 TRPM8 771/4885KDM4E 4800/4885ALDH1A1 331/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 TRPM8 771/4885KDM4E 4800/4885ALDH1A1 331/4885

“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.