SCHEMBL13720911

SCHEMBL13720911

COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 13/20 0.55
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LIPE Q05469 2/20 0.45
▸ CFD P00746 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EPHX1 P07099 1/20 0.43

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
SCHEMBL13739125 1.00 EPHX2 (0.55) EPHX2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL13721427 0.86 KMT2A (0.44) EPHX2POLBALDH1A1LIPE
SCHEMBL13740312 0.86 KMT2A (0.44) EPHX2POLBALDH1A1LIPE
SCHEMBL24012052 0.82 POLB (0.55) POLBALDH1A1
SCHEMBL13739448 0.81 EPHX2 (0.68) EPHX2POLBCYP2C9CYP2C19CFD
SCHEMBL13720740 0.78 EPHX2 (0.44) EPHX2POLBCYP2C9CYP2C19LIPE
SCHEMBL13873301 0.73 EPHX2 (0.74) EPHX2POLBCYP2C9CYP2C19LIPE
SCHEMBL14254707 0.73 ALDH1A1 (0.49) POLBALDH1A1
SCHEMBL29580800 0.71 NAMPT (0.46) EPHX2CFD
SCHEMBL13873418 0.71 EPHX2 (1.00) EPHX2POLBALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707371-B1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
EP-2707371-B1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
US-8497288-B2 Hexahydropyrroloimidazolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-07-30 — — US disclosed
US-8497288-B2 Hexahydropyrroloimidazolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-07-30 — — US disclosed
US-8497288-B2 Hexahydropyrroloimidazolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-07-30 — — US disclosed
WO-2012152663-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-15 — — WO disclosed
US-20120289549-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-15 — — US disclosed
US-20120289549-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-15 — — US disclosed
US-20120289549-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-15 — — 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-20120289549-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS LIPC, PNLIP, LIPE EPHX2 2409/4885POLB 4754/4885ALDH1A1 325/4885

“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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