SCHEMBL1883933

SCHEMBL1883933

CCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HSD17B10 Q99714 2/20 0.47
GNRHR P30968 1/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.44
F2 P00734 3/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PAX8 Q06710 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL1889802 0.93 LMNA (0.50) PKMLMNAALDH1A1GAAMEN1
SCHEMBL1892914 0.91 LMNA (0.49) PKMLMNAALDH1A1GAAMEN1
SCHEMBL1889128 0.91 LMNA (0.48) PKMLMNAALDH1A1GAAMEN1
SCHEMBL1892268 0.90 PKM (0.48) PKMLMNAALDH1A1GAAMEN1
SCHEMBL3831592 0.90 LMNA (0.47) PKMLMNAALDH1A1GAAMEN1
SCHEMBL1880717 0.89 LMNA (0.48) PKMLMNAALDH1A1GAAMEN1
SCHEMBL1891110 0.87 PKM (0.46) PKMLMNAALDH1A1GAAMEN1
SCHEMBL1892701 0.87 PTGDR2 (0.55) PKMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL1888536 0.86 PKM (0.46) PKMLMNAALDH1A1GAAMEN1
SCHEMBL1888421 0.85 PKM (0.46) PKMLMNAALDH1A1GAAMEN1

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 PKM 2215/4885LMNA 4735/4885ALDH1A1 331/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PKM 2215/4885LMNA 4735/4885ALDH1A1 331/4885

“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.