SCHEMBL1884739

SCHEMBL1884739

C=CCOC(=O)NCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.51
LMNA P02545 2/20 0.43
PKM P14618 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL1885727 0.90 GNRHR (0.46) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL1889802 0.84 LMNA (0.50) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL1892914 0.83 LMNA (0.49) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL1883933 0.83 PKM (0.50) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL1889128 0.82 LMNA (0.48) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL1880717 0.82 LMNA (0.48) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL3831592 0.82 LMNA (0.47) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL1892268 0.81 PKM (0.48) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL1891110 0.78 PKM (0.46) GNRHRLMNAPKMSMN1; SMN2HSD17B10
SCHEMBL3259560 0.78 PTGDR2 (0.44) GNRHRLMNAPKMSMN1; SMN2HSD17B10

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 3 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
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 US 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 GNRHR 742/4885LMNA 4735/4885PKM 2215/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885LMNA 4735/4885PKM 2215/4885

“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.