SCHEMBL3047903

SCHEMBL3047903

CCCc1nc2c(N(Cc3ccc(F)cc3)S(=O)(=O)c3cccc(F)c3)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ PTGER2 P43116 3/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.36
▸ GNRHR P30968 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PTPRB P23467 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33

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
SCHEMBL3051896 0.95 SMN1; SMN2 (0.40) TRPM8PTGER2SMN1; SMN2GNRHRHCRTR2
SCHEMBL1885452 0.90 TRPM8 (0.41) TRPM8PTGER2PSEN1PSEN2APH1B
SCHEMBL1886621 0.89 HCRTR2 (0.35) PTGER2HCRTR2PPARGKDM4EALDH1A1
SCHEMBL1890984 0.88 HCRTR2 (0.34) PTGER2PSEN1PSEN2APH1BNCSTN
SCHEMBL1890955 0.87 TRPM8 (0.45) TRPM8PTGER2GNRHRHCRTR2KDM4E
SCHEMBL1883860 0.87 ALDH1A1 (0.35) PTGER2GNRHRHCRTR2PPARGKDM4E
SCHEMBL1888097 0.86 PPARG (0.38) SMN1; SMN2PLA2G7GNRHRHCRTR2PPARG
SCHEMBL1889207 0.86 SMN1; SMN2 (0.42) TRPM8PTGER2SMN1; SMN2HCRTR2PPARG
SCHEMBL1884995 0.79 GNRHR (0.45) TRPM8PSEN1PSEN2APH1BNCSTN
SCHEMBL1888276 0.79 GNRHR (0.44) TRPM8GNRHRKDM4EALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 771/4885PTGER2 18/4885PSEN1 4865/4885

“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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