SCHEMBL1883605

SCHEMBL1883605

CCCc1nc2cc(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.42
AGTR2 P50052 4/20 0.42
AGTR1 P30556 3/20 0.42
MAPK14 Q16539 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
PPARG P37231 3/20 0.39
ALOX5AP P20292 2/20 0.39
STAT3 P40763 1/20 0.39
ITK Q08881 1/20 0.39
TBXA2R P21731 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
SCHEMBL1886412 0.97 GNRHR (0.42) GNRHRAGTR2AGTR1MAPK14NR1H4
SCHEMBL1889669 0.92 F2 (0.39) GNRHRAGTR2AGTR1NR1H4PPARG
SCHEMBL1890613 0.89 AGTR1 (0.41) GNRHRAGTR2AGTR1MAPK14PPARG
SCHEMBL1887387 0.89 AGTR2 (0.46) AGTR2AGTR1MAPK14PPARGSTAT3
SCHEMBL1889006 0.89 F2 (0.42) AGTR2AGTR1
SCHEMBL1883736 0.89 ITK (0.45) AGTR2AGTR1PPARGALOX5APSTAT3
SCHEMBL1884538 0.88 ITK (0.40) AGTR2AGTR1NR1H4PPARGALOX5AP
SCHEMBL1883796 0.87 RAB9A (0.38) GNRHRAGTR2AGTR1PPARG
SCHEMBL1884669 0.87 RAB9A (0.46) GNRHRPPARG
SCHEMBL1888860 0.86 AGTR1 (0.39) GNRHRAGTR2AGTR1PPARGALOX5AP

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 3 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
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 US 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 742/4885AGTR2 48/4885AGTR1 124/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885AGTR2 48/4885AGTR1 124/4885

“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.