SCHEMBL1886357

SCHEMBL1886357

CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)ccc2n1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.49
PPARG P37231 5/20 0.47
AGTR2 P50052 2/20 0.46
AGTR1 P30556 1/20 0.46
AKR1B10 O60218 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
INSR P06213 1/20 0.42
TXK P42681 1/20 0.42
STAT3 P40763 1/20 0.42
APEX1 P27695 1/20 0.42
TBXA2R P21731 2/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL1887633 0.91 PPARG (0.43) ITKPPARGAGTR2AGTR1AKR1B10
SCHEMBL1887851 0.91 PTGDR2 (0.47) ITKPPARGAGTR2AGTR1APEX1
SCHEMBL1889030 0.90 F2 (0.47) AGTR2AGTR1F2
SCHEMBL1883736 0.89 ITK (0.45) ITKPPARGAGTR2AGTR1CA1
SCHEMBL1887387 0.88 AGTR2 (0.46) ITKPPARGAGTR2AGTR1STAT3
SCHEMBL1887814 0.86 F2 (0.44) ITKPPARGAGTR2AGTR1APEX1
SCHEMBL1884541 0.86 APEX1 (0.47) PPARGAGTR2AGTR1APEX1
SCHEMBL1883677 0.84 RAB9A (0.51) PPARGAGTR2AGTR1APEX1
SCHEMBL1891061 0.84 APEX1 (0.42) PPARGAGTR2AGTR1APEX1
SCHEMBL1893585 0.83 APEX1 (0.45) PPARGAGTR2AGTR1APEX1

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 7 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-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
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-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 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 ITK 2715/4885PPARG 123/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 ITK 2715/4885PPARG 123/4885AGTR2 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.