SCHEMBL1890984

SCHEMBL1890984

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PPARG P37231 3/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ PTGER2 P43116 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ PTGDR Q13258 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30

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
SCHEMBL1886621 0.90 HCRTR2 (0.35) HCRTR2ALDH1A1KDM4EPPARGPPARA
SCHEMBL1887062 0.89 HCRTR2 (0.37) HCRTR2ALDH1A1PPARGPPARDPPARA
SCHEMBL1883860 0.88 ALDH1A1 (0.35) HCRTR2ALDH1A1KDM4EPPARGHTR6
SCHEMBL3051896 0.88 SMN1; SMN2 (0.40) HCRTR2ALDH1A1KDM4EPPARGPTGER2
SCHEMBL3047903 0.88 TRPM8 (0.38) HCRTR2ALDH1A1KDM4EPPARGPTGER2
SCHEMBL1888892 0.80 HCRTR2 (0.37) HCRTR2PPARGHTR6PTGDRPTGDR2
SCHEMBL1886847 0.78 BRD4 (0.38) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL1889207 0.78 SMN1; SMN2 (0.42) HCRTR2ALDH1A1PPARGPTGER2PTGDR
SCHEMBL1885281 0.77 GNRHR (0.40) ALDH1A1USP2PSEN1PSEN2APH1B
SCHEMBL1887901 0.77 PPARG (0.39) HCRTR2ALDH1A1PPARGPTGER2CA1

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 HCRTR2 126/4885ALDH1A1 331/4885KDM4E 4800/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 HCRTR2 126/4885ALDH1A1 331/4885KDM4E 4800/4885

“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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