SCHEMBL2996833

SCHEMBL2996833

COCCCS(=O)(=O)Nc1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1-c1cccc(C(=O)NC(C)(C)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.35
PHGDH O43175 1/20 0.34
PPARG P37231 2/20 0.34
DGAT2 Q96PD7 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
KAT6A Q92794 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK1E P49674 2/20 0.32
CSNK1D P48730 1/20 0.32

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
SCHEMBL1936819 0.95 PPARG (0.35) BRAFPHGDHPPARGDGAT2ROCK2
SCHEMBL2994355 0.93 BRAF (0.36) BRAFPHGDHPPARGDGAT2KAT6A
SCHEMBL2984692 0.92 BRAF (0.41) BRAFPHGDHPPARGDGAT2KAT6A
SCHEMBL2994049 0.90 BRAF (0.35) BRAFPPARGDGAT2ROCK2ROCK1
SCHEMBL2466121 0.88 KAT6A (0.37) PHGDHPPARGDGAT2KAT6AMEN1
SCHEMBL2991607 0.88 PPARG (0.35) BRAFPPARGDGAT2CSNK1ECSNK1D
SCHEMBL2999644 0.86 BRAF (0.40) BRAFPPARGDGAT2CSNK1E
SCHEMBL2993656 0.84 ACLY (0.35) BRAFPPARGDGAT2CSNK1ECSNK1D
SCHEMBL2465440 0.82 PPARG (0.34) PPARGDGAT2ROCK2ROCK1KAT6A
SCHEMBL1936614 0.82 PPARG (0.37) PHGDHPPARGDGAT2KAT6ACSNK1E

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 BRAF 3154/4885PHGDH 1699/4885PPARG 716/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 BRAF 3154/4885PHGDH 1699/4885PPARG 716/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 BRAF 3154/4885PHGDH 1699/4885PPARG 716/4885

“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.