SCHEMBL692914

SCHEMBL692914

COC(=O)C(C)(C)Oc1cc(F)c(Cl)cc1/C=C1/C(=O)N(C(=O)OC(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.32
ERO1A Q96HE7 1/20 0.31
SCN9A Q15858 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL699507 0.90 FBP1 (0.38) CNR1CNR2
SCHEMBL13092333 0.90 AMY1A (0.37) CMA1ERO1ASCN9ACYP3A4CYP3A5
SCHEMBL4219230 0.84 FBP1 (0.39) CYP3A4CNR1CNR2
SCHEMBL3711852 0.84 FBP1 (0.39) CYP3A4CNR1CNR2
SCHEMBL275083 0.82 CYP3A4 (0.37) ERO1ASCN9ACYP3A4CYP3A5CNR1
SCHEMBL279502 0.82 CYP3A4 (0.37) ERO1ASCN9ACYP3A4CYP3A5CNR1
SCHEMBL275084 0.82 CYP3A4 (0.37) ERO1ASCN9ACYP3A4CYP3A5CNR1
SCHEMBL7839339 0.81 FBP1 (0.46) CYP3A4CNR1
SCHEMBL1740283 0.81 CMA1 (0.33) CMA1ERO1A
SCHEMBL3710224 0.81 GABRA1 (0.32) CNR1CNR2

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
EP-2421866-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
WO-2010121995-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 US disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 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-20100273819-A1 3,3'-Spiroindolinone Derivatives SIK3, RB1, CCND3 CMA1 4441/4885ERO1A 1887/4885SCN9A 3015/4885

“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.