SCHEMBL1883860

SCHEMBL1883860

CCCc1nc2c(N(C(C)C)S(=O)(=O)c3cccc(F)c3)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PPARG P37231 5/20 0.34
▸ PTGER2 P43116 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HTR6 P50406 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ GNRHR P30968 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL1890984 0.88 HCRTR2 (0.34) ALDH1A1KDM4EPPARGPTGER2CA1
SCHEMBL1887901 0.88 PPARG (0.39) ALDH1A1PPARGPTGER2CA1CA2
SCHEMBL3051896 0.87 SMN1; SMN2 (0.40) ALDH1A1KDM4EPPARGPTGER2HCRTR2
SCHEMBL3047903 0.87 TRPM8 (0.38) ALDH1A1KDM4EPPARGPTGER2HCRTR2
SCHEMBL1886621 0.86 HCRTR2 (0.35) ALDH1A1KDM4EPPARGPTGER2CA1
SCHEMBL1886847 0.81 BRD4 (0.38) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL1887062 0.76 HCRTR2 (0.37) ALDH1A1PPARGPTGER2HCRTR2HTR6
SCHEMBL1889587 0.76 GNRHR (0.42) ALDH1A1KDM4EUSP2LMNAMEN1
SCHEMBL1889207 0.76 SMN1; SMN2 (0.42) ALDH1A1PPARGPTGER2HCRTR2LMNA
SCHEMBL1890955 0.75 TRPM8 (0.45) ALDH1A1KDM4EPTGER2HCRTR2USP2

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 ALDH1A1 331/4885KDM4E 4800/4885PPARG 123/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 ALDH1A1 331/4885KDM4E 4800/4885PPARG 123/4885

“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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