SCHEMBL2987950

SCHEMBL2987950

COC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(=O)(=O)CCCO)c(-c3cccc(C(=O)O)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACLY P53396 1/20 0.34
DHODH Q02127 1/20 0.33
MAPK14 Q16539 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL2994049 0.90 BRAF (0.35) BRAFACLYDHODH
SCHEMBL17553232 0.87 MEN1 (0.37) LMNAMEN1KMT2ADHODHMAPK14
SCHEMBL2984759 0.84 CYP2C8 (0.40) BRAF
SCHEMBL2994355 0.84 BRAF (0.36) BRAF
SCHEMBL2993575 0.84 LMNA (0.40) BRAFLMNADHODH
SCHEMBL2996833 0.82 BRAF (0.35) BRAFMEN1KMT2A
SCHEMBL2991607 0.82 PPARG (0.35) BRAF
SCHEMBL1936462 0.80 MEN1 (0.34) LMNAMEN1KMT2ADHODHMAPK14
SCHEMBL2989353 0.80 BRAF (0.46) BRAFDHODH
SCHEMBL1936819 0.79 PPARG (0.35) 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 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 BRAF 3154/4885LMNA 3141/4885MEN1 4795/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 BRAF 3154/4885LMNA 3141/4885MEN1 4795/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 BRAF 3154/4885LMNA 3141/4885MEN1 4795/4885

“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.