SCHEMBL145673

SCHEMBL145673

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5nc6ccncc6o5)CC4)ccc3C)c(F)c12

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.74
KCNH2 Q12809 3/20 0.74
CYP3A4 P08684 5/20 0.62
NR1I2 O75469 1/20 0.56
MAPK14 Q16539 2/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
KDR P35968 1/20 0.34
ABL1 P00519 1/20 0.33

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
SCHEMBL119462 0.94 CYP2C8 (0.74) CYP2C8KCNH2CYP3A4NR1I2MAPK14
SCHEMBL143480 0.90 CYP2C8 (0.77) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL141259 0.89 CYP2C8 (0.72) CYP2C8KCNH2CYP3A4NR1I2MAPK14
SCHEMBL142368 0.88 CYP2C8 (0.78) CYP2C8KCNH2CYP3A4NR1I2MAPK14
SCHEMBL143635 0.87 CYP2C8 (0.72) CYP2C8KCNH2CYP3A4NR1I2MAPK14
SCHEMBL2143297 0.87 CYP2C8 (0.78) CYP2C8KCNH2CYP3A4NR1I2ABL1
SCHEMBL140781 0.87 CYP2C8 (0.56) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL142465 0.87 CYP2C8 (0.78) CYP2C8KCNH2CYP3A4NR1I2MAPK14
SCHEMBL145304 0.86 CYP2C8 (0.72) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2138449 0.85 CYP2C8 (0.78) CYP2C8KCNH2CYP3A4NR1I2MAPK14

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-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120059019-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 85/4885KCNH2 3814/4885CYP3A4 299/4885

“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.