SCHEMBL2432879

SCHEMBL2432879

Cc1ccc(C(=O)OC(C)(C)C)cc1-c1cnc2oc(-c3ccc(F)cc3)c(C(=O)O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.40
CYP3A4 P08684 5/20 0.40
KCNH2 Q12809 3/20 0.40
ANO1 Q5XXA6 3/20 0.39
NR1I2 O75469 1/20 0.39
ABL1 P00519 8/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL1934991 0.92 CYP2C8 (0.41) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1936611 0.91 CYP2C8 (0.51) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1934982 0.88 ABL1 (0.39) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1936118 0.84 CYP2C8 (0.43) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1935042 0.78 ABL1 (0.42) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1936252 0.78 ABL1 (0.43) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1935138 0.75 ALDH1A1 (0.47) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL2994579 0.75 CYP2C8 (0.70) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1936685 0.75 RCE1 (0.41) ANO1ABL1
SCHEMBL1936786 0.71 CYP2C8 (0.69) CYP2C8CYP3A4KCNH2NR1I2ABL1

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 8 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
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 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885

“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.