SCHEMBL1889397

SCHEMBL1889397

CCCc1nc2cc(N3C(=O)c4ccccc4S3(=O)=O)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CA2 P00918 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PPARG P37231 8/20 0.38
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA13 Q8N1Q1 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
SCHEMBL1883584 0.87 CA12 (0.46) HPGDALDH1A1CA2CA12CA9
SCHEMBL1885392 0.75 KDM4E (0.44) ALDH1A1KDM4ECA2PPARGTSHR
SCHEMBL1885070 0.72 GNRHR (0.44) ALDH1A1KDM4ELMNAPPARGTSHR
SCHEMBL1882734 0.72 ACSS2 (0.46) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL1891790 0.70 PPARG (0.40) ALDH1A1KDM4ELMNAPPARGTSHR
SCHEMBL1885462 0.70 KDM4E (0.39) ALDH1A1KDM4ELMNAPPARGTSHR
SCHEMBL1895599 0.68 PTPN2 (0.48) ALDH1A1KDM4ECA2LMNAPPARG
SCHEMBL18955316 0.68 KDM4E (0.62) HPGDALDH1A1KDM4ECA2CA12
SCHEMBL1888311 0.67 GNRHR (0.46) ALDH1A1KDM4ETP53KMT2A
SCHEMBL1885440 0.67 CNR2 (0.40) ALDH1A1KDM4ELMNAPPARG

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 HPGD 116/4885ALDH1A1 331/4885KDM4E 4800/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 HPGD 116/4885ALDH1A1 331/4885KDM4E 4800/4885

“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.

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