SCHEMBL3051896

SCHEMBL3051896

CCCc1nc2c(N(Cc3ccccc3)S(=O)(=O)c3cccc(F)c3)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ PTGER2 P43116 2/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PPARG P37231 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GNRHR P30968 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ GAA P10253 1/20 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
SCHEMBL3047903 0.95 TRPM8 (0.38) SMN1; SMN2TRPM8PTGER2PPARGLMNA
SCHEMBL1889207 0.90 SMN1; SMN2 (0.42) SMN1; SMN2TRPM8PTGER2KMT2AMEN1
SCHEMBL1886621 0.89 HCRTR2 (0.35) PTGER2KMT2AMEN1PPARGLMNA
SCHEMBL1890984 0.88 HCRTR2 (0.34) PTGER2KMT2AMEN1PPARGLMNA
SCHEMBL1883860 0.87 ALDH1A1 (0.35) PTGER2KMT2AMEN1PPARGLMNA
SCHEMBL1885452 0.86 TRPM8 (0.41) SMN1; SMN2TRPM8PTGER2KMT2AMEN1
SCHEMBL1888097 0.86 PPARG (0.38) SMN1; SMN2PPARGNPSR1KDM4EALDH1A1
SCHEMBL1890955 0.82 TRPM8 (0.45) TRPM8PTGER2LMNANPSR1KDM4E
SCHEMBL1889721 0.80 GNRHR (0.41) SMN1; SMN2TRPM8PTGER2KMT2AMEN1
SCHEMBL1888892 0.79 HCRTR2 (0.37) L3MBTL1PPARGHCRTR2GAA

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 SMN1; SMN2 3835/4885TRPM8 771/4885PTGER2 18/4885

“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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