Sugi Predict

Sugi Predict / Compounds / SCHEMBL1884533

SCHEMBL1884533

SCHEMBL1884533

CCCc1nc2cc(N(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.42
▸ GNRHR P30968 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ THRB P10828 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 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
SCHEMBL1890988 0.89 CNR2 (0.46) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1889587 0.85 GNRHR (0.42) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1884995 0.83 GNRHR (0.45) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1885281 0.82 GNRHR (0.40) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1887957 0.81 GNRHR (0.48) CNR2GNRHRALDH1A1GAATHRB
SCHEMBL1889022 0.81 ALDH1A1 (0.40) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1886811 0.81 PTGDR2 (0.45) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1885742 0.81 GNRHR (0.40) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1885741 0.81 GNRHR (0.40) CNR2GNRHRALDH1A1USP2GAA
SCHEMBL1888276 0.80 GNRHR (0.44) CNR2GNRHRALDH1A1USP2GAA

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 CNR2 114/4885GNRHR 742/4885ALDH1A1 331/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 CNR2 114/4885GNRHR 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.