SCHEMBL1886359

SCHEMBL1886359

CCCCc1nc2cc(NCS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
AGTR2 P50052 2/20 0.48
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GNRHR P30968 3/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL3054996 0.88 AGTR1 (0.47) AGTR1AGTR2THRBRECQLL3MBTL1
SCHEMBL1886986 0.87 LMNA (0.53) AGTR1AGTR2THRBRECQLL3MBTL1
SCHEMBL1891240 0.84 LMNA (0.52) AGTR1AGTR2THRBRECQLL3MBTL1
SCHEMBL3831602 0.84 LMNA (0.51) AGTR1AGTR2THRBRECQLL3MBTL1
SCHEMBL1892270 0.81 LMNA (0.55) POLBKDM4EGNRHRGAA
SCHEMBL1886361 0.79 PTGDR2 (0.58) AGTR1AGTR2THRBRECQLL3MBTL1
SCHEMBL3054998 0.79 AGTR1 (0.47) AGTR1AGTR2THRBRECQLL3MBTL1
SCHEMBL1889576 0.77 AGTR1 (0.48) AGTR1AGTR2THRBRECQLAPEX1
SCHEMBL1892701 0.77 PTGDR2 (0.55) POLBKDM4EGAA
SCHEMBL1892914 0.76 LMNA (0.49) AGTR1AGTR2THRBRECQLGNRHR

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 AGTR1 124/4885AGTR2 48/4885THRB 728/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 AGTR1 124/4885AGTR2 48/4885THRB 728/4885

“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.