Sugi Predict

Sugi Predict / Compounds / SCHEMBL1891591

SCHEMBL1891591

SCHEMBL1891591

CCCc1nc2cc(N(Cc3ccccc3Cl)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 8/20 0.43
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA13 Q8N1Q1 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ PPARG P37231 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
SCHEMBL1887456 0.94 GNRHR (0.41) GNRHRCA1CA2CA7CA13
SCHEMBL1893088 0.91 GNRHR (0.41) GNRHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1887957 0.89 GNRHR (0.48) GNRHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1885597 0.89 PTGDR2 (0.45) GNRHRCA1CA2CA7CA13
SCHEMBL1886826 0.89 GNRHR (0.40) GNRHRCA1CA2CA7CA13
SCHEMBL1884995 0.89 GNRHR (0.45) GNRHRALDH1A1TRPM8USP2GAA
SCHEMBL1883538 0.88 CNR2 (0.47) GNRHRHTTSMN1; SMN2TRPM8
SCHEMBL1883832 0.88 GNRHR (0.44) GNRHRCA1CA2CA7CA13
SCHEMBL1888276 0.87 GNRHR (0.44) GNRHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1890640 0.86 GNRHR (0.47) GNRHRALDH1A1LMNAMEN1KMT2A

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 742/4885CA1 1691/4885CA2 663/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885CA1 1691/4885CA2 663/4885

“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.