SCHEMBL1885737

SCHEMBL1885737

CCCc1nc2cccc(N)c2n1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.39
▸ TLR7 Q9NYK1 5/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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) KDM4EALDH1A1TSHRRXFP1AGTR1
SCHEMBL1889761 0.82 KDM4E (0.44) KDM4EALDH1A1TSHRTLR7AGTR1
SCHEMBL1890279 0.78 METAP2 (0.41) KDM4EALDH1A1KMT2AGAA
SCHEMBL1885392 0.77 KDM4E (0.44) KDM4EALDH1A1TSHRAGTR1AGTR2
SCHEMBL1889721 0.74 GNRHR (0.41) TSHRKMT2AGAAMAPT
SCHEMBL18955316 0.71 KDM4E (0.62) KDM4EALDH1A1TSHRCA1CA2
SCHEMBL8391727 0.71 AGTR2 (0.57) AGTR1AGTR2PPARG
SCHEMBL1886744 0.70 KDM4E (0.37) KDM4EALDH1A1TSHRTLR7CA1
SCHEMBL31241916 0.70 KMT2A (0.45) KDM4EALDH1A1TSHRKMT2AMAPT
SCHEMBL31571768 0.70 KMT2A (0.45) KDM4EALDH1A1TSHRKMT2AMAPT

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 KDM4E 4800/4885ALDH1A1 331/4885TSHR 326/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 KDM4E 4800/4885ALDH1A1 331/4885TSHR 326/4885

“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.

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