SCHEMBL4389624

SCHEMBL4389624

Cc1cc2cc(Cl)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
NR1H2 P55055 10/20 0.42
ACLY P53396 4/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STS P08842 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NR1H3 Q13133 2/20 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
SCHEMBL13515283 0.89 AKR1C3 (0.40) AKR1C3AKR1C2NR1H2LMNAL3MBTL1
SCHEMBL10173695 0.85 NR1H2 (0.49) AKR1C3AKR1C2NR1H2NR1H3
SCHEMBL18851069 0.84 NR1H2 (0.40) AKR1C3AKR1C2NR1H2LMNAL3MBTL1
SCHEMBL18966700 0.84 ESR2 (0.43) AKR1C3AKR1C2NR1H2MEN1KMT2A
SCHEMBL5436506 0.83 NR1H2 (0.44) AKR1C3AKR1C2NR1H2NR1H3
SCHEMBL1621434 0.83 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL15040570 0.83 NR1H2 (0.49) AKR1C3AKR1C2NR1H2NR1H3
SCHEMBL29955454 0.82 NR1H2 (0.39) AKR1C3AKR1C2NR1H2LMNAL3MBTL1
SCHEMBL19013549 0.82 NR1H2 (0.41) NR1H2ACLYLMNAL3MBTL1MEN1
SCHEMBL29631993 0.82 NR1H2 (0.41) NR1H2ACLYLMNAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 AKR1C3 826/4885AKR1C2 806/4885NR1H2 236/4885

“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.