SCHEMBL19797953

SCHEMBL19797953

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(C)c(O)cc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.50
CYP2C8 P10632 6/20 0.50
KCNH2 Q12809 4/20 0.49
NR1I2 O75469 1/20 0.47
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46

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
SCHEMBL2840810 0.91 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL19797951 0.91 CYP3A4 (0.52) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL2842541 0.87 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL18038582 0.87 MEN1 (0.52) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL17464359 0.87 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL2839079 0.86 CYP3A4 (0.47) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL12940351 0.86 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL1918575 0.85 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2NR1I2CYP2C9
SCHEMBL2841597 0.85 CYP3A4 (0.44) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL2840735 0.85 CYP3A4 (0.48) CYP3A4CYP2C8KCNH2NR1I2CYP2C9

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-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 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-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CYP3A4 640/4885CYP2C8 244/4885KCNH2 3950/4885

“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.