SCHEMBL1890988

SCHEMBL1890988

CCCc1nc2cc(N(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
PTGDR2 Q9Y5Y4 6/20 0.43
GAA P10253 1/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGDR Q13258 3/20 0.40
TBXA2R P21731 2/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
GNRHR P30968 1/20 0.39
ESR1 P03372 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38

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
SCHEMBL1884533 0.89 CNR2 (0.42) CNR2GAATHRBRECQLL3MBTL1
SCHEMBL1887439 0.83 PTGDR2 (0.47) CNR2PTGDR2GAATHRBRECQL
SCHEMBL1890219 0.82 TRPM8 (0.47) CNR2PTGDR2GAATHRBRECQL
SCHEMBL1881961 0.81 MCL1 (0.44) CNR2PTGDR2GAATHRBRECQL
SCHEMBL1888333 0.80 PTGDR2 (0.49) CNR2PTGDR2GAATHRBRECQL
SCHEMBL1886361 0.79 PTGDR2 (0.58) CNR2PTGDR2GAATHRBRECQL
SCHEMBL1887558 0.79 GAA (0.45) CNR2PTGDR2GAATHRBRECQL
SCHEMBL1887559 0.79 GAA (0.45) CNR2PTGDR2GAATHRBRECQL
SCHEMBL1891626 0.78 CNR1 (0.52) CNR2PTGDR2GAATBXA2RGNRHR
SCHEMBL1883649 0.78 PTGDR2 (0.47) CNR2PTGDR2GAATHRBRECQL

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 11 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 claimed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
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
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 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 CNR2 114/4885PTGDR2 3/4885GAA 2397/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 CNR2 114/4885PTGDR2 3/4885GAA 2397/4885

“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.