SCHEMBL2993656

SCHEMBL2993656

CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(=O)(=O)CCC3CC3)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
PPARG P37231 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
DGAT1 O75907 1/20 0.33
CSNK1E P49674 2/20 0.33
BRAF P15056 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
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
SCHEMBL2999644 0.92 BRAF (0.40) PPARGDGAT2CSNK1EBRAF
SCHEMBL2991607 0.91 PPARG (0.35) PPARGDGAT2CSNK1EBRAFCNR2
SCHEMBL1936819 0.90 PPARG (0.35) PPARGDGAT2CSNK1EBRAFCSNK1D
SCHEMBL1936614 0.88 PPARG (0.37) PPARGDGAT2CSNK1ECSNK1D
SCHEMBL12330144 0.87 PPARG (0.39) PPARGDGAT2CSNK1ECSNK1D
SCHEMBL2984692 0.86 BRAF (0.41) PPARGDGAT2CSNK1EBRAF
SCHEMBL2994355 0.85 BRAF (0.36) PPARGDGAT2CSNK1EBRAFCNR2
SCHEMBL2996833 0.84 BRAF (0.35) PPARGDGAT2CSNK1EBRAFCSNK1D
SCHEMBL13459695 0.84 PPARG (0.38) PPARGDGAT2CSNK1ECSNK1D
SCHEMBL1936898 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
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 ACLY 520/4885PPARG 716/4885DGAT2 1365/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ACLY 520/4885PPARG 716/4885DGAT2 1365/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ACLY 520/4885PPARG 716/4885DGAT2 1365/4885

“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.