SCHEMBL1886986

SCHEMBL1886986

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
F2 P00734 2/20 0.47
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
METAP2 P50579 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
GNRHR P30968 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1891240 0.97 LMNA (0.52) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL3831602 0.96 LMNA (0.51) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1892270 0.94 LMNA (0.55) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1892701 0.90 PTGDR2 (0.55) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL3054996 0.89 AGTR1 (0.47) LMNAAGTR1AGTR2THRBRECQL
SCHEMBL1888096 0.88 LMNA (0.52) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1892914 0.88 LMNA (0.49) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1886359 0.87 AGTR1 (0.48) AGTR1AGTR2THRBRECQLKDM4E
SCHEMBL1883833 0.86 PTGDR2 (0.52) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1889128 0.85 LMNA (0.48) LMNAPTGDR2PKMSMN1; 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 LMNA 4735/4885PTGDR2 3/4885PKM 2215/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 LMNA 4735/4885PTGDR2 3/4885PKM 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.