SCHEMBL2431373

SCHEMBL2431373

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)O)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.44
MAP4K4 O95819 2/20 0.44
CYP2C8 P10632 3/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL1936281 0.85 CYP2C8 (0.52) CACNA1CCYP2C8KCNH2CYP3A4
SCHEMBL1917824 0.83 CYP3A4 (0.55) CYP2C8KCNH2CYP3A4
SCHEMBL1936818 0.81 CYP3A4 (0.46) CYP2C8KCNH2CYP3A4
SCHEMBL1937027 0.81 CYP2C8 (0.66) CACNA1CMAP4K4CYP2C8KCNH2CYP3A4
SCHEMBL2436952 0.80 ALDH1A1 (0.45) CACNA1CCYP2C8KCNH2CYP3A4
SCHEMBL19806140 0.78 CYP3A4 (0.50) CYP2C8KCNH2CYP3A4
SCHEMBL1935178 0.77 MTNR1A (0.43) CACNA1CCYP2C8KCNH2CYP3A4
SCHEMBL15147481 0.77 CYP3A4 (0.56) CYP2C8KCNH2CYP3A4
SCHEMBL10240281 0.77 CYP2C8 (0.57) CYP2C8KCNH2CYP3A4
SCHEMBL16113626 0.77 CYP3A4 (0.43) CYP2C8KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (3 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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CACNA1C 4463/4885MAP4K4 3088/4885CYP2C8 168/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CACNA1C 4463/4885MAP4K4 3088/4885CYP2C8 168/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CACNA1C 4463/4885MAP4K4 3088/4885CYP2C8 168/4885

“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.