Sugi Predict

Sugi Predict / Compounds / SCHEMBL1893088

SCHEMBL1893088

SCHEMBL1893088

CCCc1nc2cc(N(Cc3ccccc3C(F)(F)F)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 5/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.40
▸ KIF11 P52732 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ THRB P10828 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
SCHEMBL1891591 0.91 GNRHR (0.43) GNRHRTRPM8ALDH1A1LMNAGAA
SCHEMBL1890989 0.90 PTGDR2 (0.44) GNRHRTRPM8KIF11ALDH1A1CYP2C9
SCHEMBL1887957 0.89 GNRHR (0.48) GNRHRTRPM8ALDH1A1LMNAGAA
SCHEMBL1886826 0.89 GNRHR (0.40) GNRHRTRPM8ALDH1A1LMNAGAA
SCHEMBL1884995 0.88 GNRHR (0.45) GNRHRTRPM8ALDH1A1GAAUSP2
SCHEMBL1887456 0.88 GNRHR (0.41) GNRHRTRPM8ALDH1A1LMNACYP2C9
SCHEMBL1887547 0.86 TRPM8 (0.44) GNRHRTRPM8ALDH1A1LMNACYP2C9
SCHEMBL1888276 0.86 GNRHR (0.44) GNRHRTRPM8ALDH1A1LMNACYP2C9
SCHEMBL1890640 0.85 GNRHR (0.47) GNRHRTRPM8ALDH1A1LMNAGAA
SCHEMBL1887598 0.84 GNRHR (0.47) GNRHRTRPM8ALDH1A1GAANR3C1

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 742/4885TRPM8 771/4885KIF11 4834/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885TRPM8 771/4885KIF11 4834/4885

“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.