SCHEMBL1889022

SCHEMBL1889022

CCCc1nc2cc(N(CC(=O)OCC)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GNRHR P30968 3/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.37
HCRTR2 O43614 3/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 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
SCHEMBL1887414 0.90 KEAP1 (0.43) ALDH1A1GNRHRUSP2GAAPKM
SCHEMBL1884995 0.90 GNRHR (0.45) ALDH1A1GNRHRUSP2GAAKEAP1
SCHEMBL1887957 0.88 GNRHR (0.48) ALDH1A1GNRHRGAAMEN1KMT2A
SCHEMBL1885742 0.87 GNRHR (0.40) ALDH1A1GNRHRUSP2GAAMEN1
SCHEMBL1885281 0.87 GNRHR (0.40) ALDH1A1GNRHRUSP2GAAMEN1
SCHEMBL1885741 0.87 GNRHR (0.40) ALDH1A1GNRHRUSP2GAAMEN1
SCHEMBL1893439 0.86 GNRHR (0.40) ALDH1A1GNRHRUSP2GAAMEN1
SCHEMBL1889587 0.86 GNRHR (0.42) ALDH1A1GNRHRUSP2GAAMEN1
SCHEMBL1888276 0.86 GNRHR (0.44) ALDH1A1GNRHRUSP2GAAMEN1
SCHEMBL1883538 0.86 CNR2 (0.47) GNRHRCNR2HTTTBXA2R

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 ALDH1A1 331/4885GNRHR 742/4885USP2 1850/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 ALDH1A1 331/4885GNRHR 742/4885USP2 1850/4885

“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.