SCHEMBL1888097

SCHEMBL1888097

CCCc1nc2c(N(Cc3ccccc3)S(=O)(=O)Cc3ccc(F)cc3)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.38
▸ HCRTR2 O43614 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GNRHR P30968 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ AGTR1 P30556 2/20 0.34
▸ AGTR2 P50052 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSPO P30536 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
SCHEMBL1893562 0.90 PPARG (0.42) PPARGHCRTR2SMN1; SMN2NPSR1HCRTR1
SCHEMBL3047903 0.86 TRPM8 (0.38) PPARGHCRTR2SMN1; SMN2GNRHRPLA2G7
SCHEMBL3051896 0.86 SMN1; SMN2 (0.40) PPARGHCRTR2SMN1; SMN2NPSR1GNRHR
SCHEMBL1885555 0.78 KDM4E (0.39) PPARGKDM4EALDH1A1PPARAAGTR1
SCHEMBL1889721 0.78 GNRHR (0.41) SMN1; SMN2GNRHRMAPT
SCHEMBL1885452 0.77 TRPM8 (0.41) PPARGHCRTR2SMN1; SMN2
SCHEMBL1887957 0.76 GNRHR (0.48) GNRHRALDH1A1MAPT
SCHEMBL1889207 0.76 SMN1; SMN2 (0.42) PPARGHCRTR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL1891435 0.76 GNRHR (0.42) GNRHRPLA2G7ALDH1A1AGTR1AGTR2
SCHEMBL1886621 0.75 HCRTR2 (0.35) PPARGHCRTR2KDM4EALDH1A1PPARA

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 PPARG 123/4885HCRTR2 126/4885SMN1; SMN2 3835/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PPARG 123/4885HCRTR2 126/4885SMN1; SMN2 3835/4885

“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.

Send feedback