Sugi Predict

Sugi Predict / Compounds / SCHEMBL1890955

SCHEMBL1890955

SCHEMBL1890955

CCCc1nc2cc(N(Cc3ccc(F)cc3)S(=O)(=O)c3cccc(F)c3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ GNRHR P30968 6/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ PTGER2 P43116 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ TBXA2R P21731 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1884995 0.93 GNRHR (0.45) TRPM8GNRHRALDH1A1USP2AGTR1
SCHEMBL1888276 0.92 GNRHR (0.44) TRPM8GNRHRALDH1A1USP2AGTR1
SCHEMBL1887957 0.91 GNRHR (0.48) TRPM8GNRHRALDH1A1GAATHRB
SCHEMBL1891435 0.90 GNRHR (0.42) TRPM8GNRHRALDH1A1USP2AGTR1
SCHEMBL1883538 0.89 CNR2 (0.47) TRPM8GNRHRTBXA2RCNR2CNR1
SCHEMBL1889270 0.89 KCNA5 (0.46) TRPM8GNRHRALDH1A1AGTR1AGTR2
SCHEMBL1883545 0.89 TRPM8 (0.48) TRPM8GNRHRALDH1A1USP2AGTR1
SCHEMBL1888006 0.87 TRPM8 (0.47) TRPM8GNRHRHCRTR2
SCHEMBL1883832 0.87 GNRHR (0.44) TRPM8GNRHRALDH1A1USP2GAA
SCHEMBL1885794 0.87 TRPM8 (0.41) TRPM8GNRHRALDH1A1USP2GAA

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 TRPM8 771/4885GNRHR 742/4885ALDH1A1 331/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 TRPM8 771/4885GNRHR 742/4885ALDH1A1 331/4885

“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.