SCHEMBL1885392

SCHEMBL1885392

CCCc1nc2cc(N)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAD52 P43351 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ GAA P10253 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
SCHEMBL1882734 0.83 ACSS2 (0.46) KDM4EALDH1A1TSHRBRD4
SCHEMBL1885070 0.79 GNRHR (0.44) KDM4EALDH1A1TSHRHTTAGTR1
SCHEMBL1889761 0.77 KDM4E (0.44) KDM4EALDH1A1TSHRCA1CA2
SCHEMBL1885737 0.77 KDM4E (0.44) KDM4EALDH1A1TSHRCA1CA2
SCHEMBL1888311 0.77 GNRHR (0.46) KDM4EALDH1A1AGTR1AGTR2HDAC1
SCHEMBL1886744 0.77 KDM4E (0.37) KDM4EALDH1A1TSHRCA1CA2
SCHEMBL1891790 0.77 PPARG (0.40) KDM4EALDH1A1TSHRAGTR1AGTR2
SCHEMBL1889802 0.76 LMNA (0.50) KDM4EALDH1A1GAA
SCHEMBL1890613 0.75 AGTR1 (0.41) CNR2AGTR1AGTR2HDAC1PPARG
SCHEMBL1889397 0.75 HPGD (0.43) KDM4EALDH1A1TSHRCA1CA2

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 331/4885RAD52 717/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 KDM4E 4800/4885ALDH1A1 331/4885RAD52 717/4885

“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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