SCHEMBL3333586

SCHEMBL3333586

COC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc3c(c2)OCC(=O)N3)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MDH1 P40925 2/20 0.39
▸ MDH2 P40926 2/20 0.39
▸ NSD2 O96028 3/20 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
SCHEMBL2660869 0.79 NPC1 (0.43) TRPV1RXFP1PDE3BPDE3AALDH1A1
SCHEMBL29978611 0.77 ALDH1A1 (0.52) CYP3A4CYP19A1CYP2C9TRPV1MAPT
SCHEMBL303909 0.77 ALDH1A1 (0.52) CYP3A4CYP19A1CYP2C9TRPV1MAPT
SCHEMBL6757684 0.71 KIF11 (0.50) TRPV1PDE3BPDE3ANSD2
SCHEMBL2659983 0.70 CASP3 (0.55) MAPTPOLBALDH1A1
SCHEMBL6752 0.70 ALDH1A1 (0.63) MAPTRXFP1POLBALDH1A1
SCHEMBL29901720 0.70 ALDH1A1 (0.63) MAPTRXFP1POLBALDH1A1
SCHEMBL30871998 0.69 DRD4 (0.59) MAPTPDE3BPDE3APOLBALDH1A1
SCHEMBL1494348 0.69 DRD4 (0.59) MAPTPDE3BPDE3APOLBALDH1A1
SCHEMBL2001176 0.68 MGLL (0.45) MAPTRXFP1POLBALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 — — EP claimed
US-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-06-10 — — US claimed
US-8940900-B2 2,2,2-tri-substituted acetamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (US) 2015-01-27 — — US disclosed
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 — — EP disclosed
US-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-06-10 — — 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 (1 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-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, GCKR, GALK1 CYP3A4 323/4885CYP19A1 1168/4885CYP2C9 416/4885

“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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