SCHEMBL17050692

SCHEMBL17050692

COCCNC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.78
CYP2C9 P11712 8/20 0.78
ACACA Q13085 6/20 0.78
CYP2C19 P33261 3/20 0.78
CYP3A4 P08684 2/20 0.55

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
SCHEMBL17050701 0.92 ACACB (0.80) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050694 0.92 ACACB (0.79) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050699 0.92 ACACB (0.83) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050700 0.90 ACACB (0.75) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050598 0.89 ACACB (0.80) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050693 0.89 ACACB (0.79) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050696 0.89 ACACB (0.79) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050684 0.88 ACACB (0.86) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050612 0.88 ACACB (0.78) ACACBCYP2C9ACACACYP2C19CYP3A4
SCHEMBL17050695 0.88 ACACB (0.78) ACACBCYP2C9ACACACYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ACACB 2/4885CYP2C9 524/4885ACACA 10/4885

“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.