SCHEMBL18038643

SCHEMBL18038643

CCCOc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.42
CYP2C8 P10632 4/20 0.42
KCNH2 Q12809 3/20 0.42
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
ANO1 Q5XXA6 2/20 0.41
NR1I2 O75469 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PRNP P04156 1/20 0.39

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
SCHEMBL17464362 0.92 MEN1 (0.43) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18038638 0.87 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL16114278 0.87 ALDH1A1 (0.42) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18038647 0.86 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL2841597 0.86 CYP3A4 (0.44) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL2840382 0.85 CYP3A4 (0.43) CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL17464359 0.84 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL2840810 0.83 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18038568 0.83 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19
SCHEMBL18038639 0.83 CYP3A4 (0.44) CYP3A4CYP2C8KCNH2CYP2C9CYP2C19

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
US-10150747-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-11 US disclosed
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
EP-3262038-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2018-01-03 EP disclosed
WO-2016137832-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-01 WO disclosed
WO-2016137832-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-01 WO 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 (2 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-10150747-B2 Compounds for the treatment of hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885KCNH2 3814/4885
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.