SCHEMBL1884995

SCHEMBL1884995

CCCc1nc2cc(N(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TBXA2R P21731 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL1883538 0.96 CNR2 (0.47) GNRHRTRPM8CNR2CNR1TBXA2R
SCHEMBL1887957 0.96 GNRHR (0.48) GNRHRTRPM8CNR2CNR1GAA
SCHEMBL1885794 0.94 TRPM8 (0.41) GNRHRTRPM8CNR2CNR1GAA
SCHEMBL1888006 0.94 TRPM8 (0.47) GNRHRTRPM8NR3C1
SCHEMBL1891435 0.93 GNRHR (0.42) GNRHRTRPM8CNR2GAAUSP2
SCHEMBL1888276 0.93 GNRHR (0.44) GNRHRTRPM8CNR2GAAUSP2
SCHEMBL1890955 0.93 TRPM8 (0.45) GNRHRTRPM8CNR2CNR1GAA
SCHEMBL1887598 0.91 GNRHR (0.47) GNRHRTRPM8GAAALDH1A1THRB
SCHEMBL1889270 0.91 KCNA5 (0.46) GNRHRTRPM8CNR2ALDH1A1AGTR1
SCHEMBL1883832 0.91 GNRHR (0.44) GNRHRTRPM8CNR2CNR1GAA

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 GNRHR 742/4885TRPM8 771/4885CNR2 114/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885TRPM8 771/4885CNR2 114/4885

“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.