SCHEMBL1885760

SCHEMBL1885760

CCCc1nc2c([N+](=O)[O-])cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ AGTR1 P30556 2/20 0.39
▸ AGTR2 P50052 2/20 0.39
▸ PPARG P37231 5/20 0.38
▸ TSHR P16473 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ PPARA Q07869 1/20 0.36
▸ IRAK1 P51617 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL1885547 0.83 ALDH1A1 (0.41) KDM4EALDH1A1AGTR1AGTR2PPARG
SCHEMBL1889761 0.83 KDM4E (0.44) KDM4EALDH1A1AGTR1AGTR2PPARG
SCHEMBL8598596 0.82 DCTPP1 (0.43) DCTPP1KDM4EALDH1A1
SCHEMBL8602012 0.81 DCTPP1 (0.42) DCTPP1KDM4EALDH1A1PABPC1IRAK1
SCHEMBL8601277 0.80 DCTPP1 (0.41) DCTPP1KDM4EALDH1A1IRAK1IRAK4
SCHEMBL1886744 0.74 KDM4E (0.37) KDM4EALDH1A1PPARGTSHR
SCHEMBL3730551 0.73 DCTPP1 (0.57) DCTPP1KDM4EALDH1A1TSHRIRAK1
SCHEMBL8393688 0.73 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL261021 0.73 ALDH1A1 (0.43) KDM4EALDH1A1TSHR
SCHEMBL9044232 0.73 AGTR1 (0.48) AGTR1AGTR2PPARG

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 DCTPP1 2213/4885KDM4E 4800/4885ALDH1A1 331/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 DCTPP1 2213/4885KDM4E 4800/4885ALDH1A1 331/4885

“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.

Send feedback