SCHEMBL1936819

SCHEMBL1936819

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
BRAF P15056 3/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PHGDH O43175 1/20 0.32
HCRTR2 O43614 1/20 0.32
CSNK1E P49674 2/20 0.32
CSNK1D P48730 1/20 0.31

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
SCHEMBL2996833 0.95 BRAF (0.35) PPARGBRAFDGAT2ROCK2ROCK1
SCHEMBL2991607 0.93 PPARG (0.35) PPARGBRAFDGAT2CSNK1ECSNK1D
SCHEMBL2999644 0.92 BRAF (0.40) PPARGBRAFDGAT2CSNK1E
SCHEMBL2993656 0.90 ACLY (0.35) PPARGBRAFDGAT2CSNK1ECSNK1D
SCHEMBL2994049 0.89 BRAF (0.35) PPARGBRAFDGAT2ROCK2ROCK1
SCHEMBL1936614 0.88 PPARG (0.37) PPARGJAK2JAK3DGAT2PHGDH
SCHEMBL2994355 0.88 BRAF (0.36) PPARGBRAFDGAT2PHGDHCSNK1E
SCHEMBL12330144 0.87 PPARG (0.39) PPARGDGAT2PHGDHCSNK1ECSNK1D
SCHEMBL2984692 0.86 BRAF (0.41) PPARGBRAFDGAT2PHGDHCSNK1E
SCHEMBL13459695 0.84 PPARG (0.38) PPARGJAK2JAK3DGAT2ROCK2

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
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
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP 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 PPARG 716/4885BRAF 3154/4885JAK2 252/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885BRAF 3154/4885JAK2 252/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885BRAF 3154/4885JAK2 252/4885

“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.