SCHEMBL11928136

SCHEMBL11928136

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC(C)(C)C)c(OC)cc3C)cc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
CYP2C8 P10632 5/20 0.51
KCNH2 Q12809 2/20 0.49
NR1I2 O75469 1/20 0.48
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ANO1 Q5XXA6 2/20 0.40

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
SCHEMBL1918922 0.89 CYP2C8 (0.53) CYP3A4CYP2C8KCNH2NR1I2ANO1
SCHEMBL143697 0.89 CYP2C8 (0.55) CYP3A4CYP2C8KCNH2NR1I2ANO1
SCHEMBL1918814 0.87 CYP2C8 (0.50) CYP3A4CYP2C8KCNH2NR1I2KDM4E
SCHEMBL2140983 0.86 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2NR1I2ANO1
SCHEMBL12240922 0.86 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2NR1I2KDM4E
SCHEMBL1918703 0.84 CYP2C8 (0.55) CYP3A4CYP2C8KCNH2NR1I2ANO1
SCHEMBL12159318 0.83 CYP2C8 (0.54) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL2142289 0.83 CYP2C8 (0.54) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL2141615 0.83 CYP2C8 (0.68) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL2139914 0.83 CYP2C8 (0.58) CYP3A4CYP2C8KCNH2NR1I2ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 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-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885KCNH2 3814/4885

“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.