SCHEMBL2993575

SCHEMBL2993575

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BRAF P15056 10/20 0.38
PTGS2 P35354 2/20 0.35
GCGR P47871 1/20 0.33
KIT P10721 1/20 0.33
DHODH Q02127 1/20 0.32
PTGS1 P23219 1/20 0.32
MAP2K4 P45985 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
SCHEMBL2988009 0.87 LMNA (0.36) LMNACA12CA1CA2CA9
SCHEMBL2987950 0.84 BRAF (0.36) LMNABRAFDHODH
SCHEMBL2998731 0.80 BRAF (0.46) BRAFKIT
SCHEMBL17530722 0.79 BRAF (0.37) BRAF
SCHEMBL15455062 0.79 BRAF (0.36) LMNACA12CA1CA2CA9
SCHEMBL2994049 0.79 BRAF (0.35) BRAFDHODH
SCHEMBL17332223 0.79 BRAF (0.39) CA12CA1CA2CA9BRAF
SCHEMBL1935490 0.79 CA12 (0.38) LMNACA12CA1CA2CA9
SCHEMBL2994080 0.78 BRAF (0.38) BRAF
SCHEMBL2991900 0.78 BRAF (0.39) 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 LMNA 3141/4885CA12 1432/4885CA1 4156/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 LMNA 3141/4885CA12 1432/4885CA1 4156/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 LMNA 3141/4885CA12 1432/4885CA1 4156/4885

“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.