SCHEMBL1890948

SCHEMBL1890948

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.44
▸ APEX1 P27695 1/20 0.43
▸ SREBF2 Q12772 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GNRHR P30968 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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 0.92 ACSS2 (0.46) ACSS2TLR7SREBF2MAPK14IDH1
SCHEMBL13077024 0.78 ACSS2 (0.48) ACSS2TLR7RAB9AMAPK14IDH1
SCHEMBL1885070 0.77 GNRHR (0.44) NPC1GAARAB9AGNRHRKMT2A
SCHEMBL3825019 0.77 TLR7 (0.42) ACSS2TLR7APEX1BRD4
SCHEMBL1885392 0.74 KDM4E (0.44) GAABRD4
SCHEMBL6169794 0.74 PTGES (0.57) ACSS2TLR7GAAKMT2A
SCHEMBL1888311 0.74 GNRHR (0.46) NPC1RAB9AGNRHRKMT2A
SCHEMBL1892270 0.73 LMNA (0.55) GAARAB9APOLBGNRHR
SCHEMBL1889802 0.73 LMNA (0.50) GAARAB9AGNRHRKMT2A
SCHEMBL26451964 0.72 EHMT2 (0.48) ACSS2TLR7POLBGNRHRKMT2A

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 6 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-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 ACSS2 582/4885TLR7 2107/4885APEX1 4106/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 ACSS2 582/4885TLR7 2107/4885APEX1 4106/4885

“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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