SCHEMBL1892586

SCHEMBL1892586

CCCc1nc2cc(N(Cc3ccc(F)cc3)C(=O)C3CC3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
TBXA2R P21731 4/20 0.38
GNRHR P30968 1/20 0.38
HDAC1 Q13547 1/20 0.37
PLA2G7 Q13093 1/20 0.36
CNR2 P34972 4/20 0.36
PTPRB P23467 1/20 0.36
PTPN11 Q06124 1/20 0.36
CNR1 P21554 1/20 0.35
PPARG P37231 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL1890613 0.89 AGTR1 (0.41) AGTR1AGTR2TBXA2RGNRHRHDAC1
SCHEMBL1885965 0.89 NR1H4 (0.43) NR1H4CNR2PTPRBPTPN11CNR1
SCHEMBL1888632 0.88 AGTR1 (0.43) NR1H4AGTR1AGTR2TBXA2RGNRHR
SCHEMBL1889314 0.88 NR1H4 (0.44) NR1H4CNR2PTPRBPTPN11CNR1
SCHEMBL1888860 0.86 AGTR1 (0.39) AGTR1AGTR2TBXA2RGNRHRHDAC1
SCHEMBL1883605 0.86 GNRHR (0.42) NR1H4AGTR1AGTR2TBXA2RGNRHR
SCHEMBL1886412 0.84 GNRHR (0.42) NR1H4AGTR1AGTR2GNRHRPPARG
SCHEMBL1891435 0.84 GNRHR (0.42) AGTR1AGTR2TBXA2RGNRHRHDAC1
SCHEMBL1884995 0.82 GNRHR (0.45) AGTR1AGTR2TBXA2RGNRHRCNR2
SCHEMBL1891790 0.81 PPARG (0.40) AGTR1AGTR2PPARG

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 NR1H4 143/4885AGTR1 124/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 NR1H4 143/4885AGTR1 124/4885AGTR2 48/4885

“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.