SCHEMBL2994579

SCHEMBL2994579

Cc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1cnc2oc(-c3ccc(F)cc3)c(C(=O)O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.70
CYP3A4 P08684 5/20 0.70
KCNH2 Q12809 3/20 0.70
NR1I2 O75469 1/20 0.70
ABL1 P00519 8/20 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
SCHEMBL2438226 0.93 CYP2C8 (0.81) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1936786 0.93 CYP2C8 (0.69) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL2996484 0.91 CYP2C8 (0.58) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2985231 0.85 CYP2C8 (0.69) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL1936169 0.85 CYP2C8 (0.80) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1936612 0.85 CYP2C8 (0.58) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL2141972 0.83 CYP2C8 (1.00) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2993440 0.79 CYP2C8 (0.82) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL1936904 0.78 CYP2C8 (0.56) CYP2C8CYP3A4KCNH2NR1I2ABL1
SCHEMBL1935138 0.78 ALDH1A1 (0.47) 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 6 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
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
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.