SCHEMBL1889802

SCHEMBL1889802

CCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PKM P14618 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
GNRHR P30968 3/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.43
PAX8 Q06710 2/20 0.43
F2 P00734 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 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
SCHEMBL1892914 0.95 LMNA (0.49) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1889128 0.94 LMNA (0.48) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL3831592 0.93 LMNA (0.47) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1883933 0.93 PKM (0.50) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1880717 0.91 LMNA (0.48) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1892268 0.89 PKM (0.48) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1892270 0.87 LMNA (0.55) LMNAPKMSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1891110 0.86 PKM (0.46) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1888421 0.85 PKM (0.46) LMNAPKMSMN1; SMN2HSD17B10MEN1
SCHEMBL1888536 0.85 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.