SCHEMBL2994080

SCHEMBL2994080

O=C(O)c1c(-c2ccc(F)cc2)nn2cc(NS(=O)(=O)CCCO)c(C3CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.38
WDR5 P61964 1/20 0.32
ACLY P53396 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1E P49674 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
SCHEMBL2991900 0.91 BRAF (0.39) BRAFWDR5
SCHEMBL15455564 0.90 BRAF (0.38) BRAFCSNK1DCSNK1E
SCHEMBL2997897 0.86 BRAF (0.45) BRAF
SCHEMBL6121002 0.84 BRAF (0.34) BRAFWDR5ACLY
SCHEMBL6120692 0.84 TP53 (0.37) BRAF
SCHEMBL6120952 0.82 BRAF (0.37) BRAFWDR5
SCHEMBL15455062 0.82 BRAF (0.36) BRAF
SCHEMBL2989868 0.82 BRAF (0.45) BRAF
SCHEMBL6121996 0.80 JAK2 (0.32) BRAFWDR5
SCHEMBL2999832 0.79 BRAF (0.46) BRAF

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 3154/4885WDR5 4638/4885ACLY 520/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 BRAF 3154/4885WDR5 4638/4885ACLY 520/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 BRAF 3154/4885WDR5 4638/4885ACLY 520/4885

“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.