SCHEMBL1892914

SCHEMBL1892914

CCCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
GNRHR P30968 5/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
F2 P00734 2/20 0.41
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 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
SCHEMBL1889128 0.97 LMNA (0.48) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL3831592 0.97 LMNA (0.47) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1889802 0.95 LMNA (0.50) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1883933 0.91 PKM (0.50) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1880717 0.89 LMNA (0.48) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1886986 0.88 LMNA (0.53) LMNAPKMSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1892268 0.87 PKM (0.48) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1891240 0.85 LMNA (0.52) LMNAPKMSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1888707 0.85 PKM (0.45) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1891110 0.84 PKM (0.46) LMNAPKMSMN1; SMN2HSD17B10MEN1

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 LMNA 4735/4885PKM 2215/4885SMN1; SMN2 3835/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 LMNA 4735/4885PKM 2215/4885SMN1; 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.