SCHEMBL1880685

SCHEMBL1880685

CCCC(C)c1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.51
PKM P14618 2/20 0.47
LMNA P02545 3/20 0.46
TBXA2R P21731 1/20 0.45
TBXAS1 P24557 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
GNRHR P30968 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL1885814 0.91 PTGDR2 (0.54) PTGDR2PKMLMNATBXA2RTBXAS1
SCHEMBL1883883 0.89 PTGDR2 (0.47) PTGDR2PKMLMNATBXA2RTBXAS1
SCHEMBL1888421 0.88 PKM (0.46) PTGDR2PKMLMNATBXAS1SMN1; SMN2
SCHEMBL1888356 0.88 PTGDR2 (0.48) PTGDR2PKMLMNATBXA2RTBXAS1
SCHEMBL1892270 0.84 LMNA (0.55) PTGDR2PKMLMNATBXA2RSMN1; SMN2
SCHEMBL1892701 0.84 PTGDR2 (0.55) PTGDR2PKMLMNATBXA2RTBXAS1
SCHEMBL1883833 0.83 PTGDR2 (0.52) PTGDR2PKMLMNATBXA2RTBXAS1
SCHEMBL1886986 0.82 LMNA (0.53) PTGDR2PKMLMNASMN1; SMN2HSD17B10
SCHEMBL1891240 0.81 LMNA (0.52) PTGDR2PKMLMNASMN1; SMN2HSD17B10
SCHEMBL3831602 0.81 LMNA (0.51) PTGDR2PKMLMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US claimed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
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-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 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 PTGDR2 3/4885PKM 2215/4885LMNA 4735/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PTGDR2 3/4885PKM 2215/4885LMNA 4735/4885

“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.