SCHEMBL9911850

SCHEMBL9911850

COC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCO[Si](C)(C)C(C)(C)C)S(C)(=O)=O)c(OCc3ccccc3)cc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.34
NFE2L2 Q16236 3/20 0.34
CYP19A1 P11511 4/20 0.34
PTPN2 P17706 2/20 0.33
PTPN1 P18031 2/20 0.33
PTPN6 P29350 2/20 0.33
LMNA P02545 1/20 0.33
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LRRK2 Q5S007 2/20 0.32
PTPRF P10586 1/20 0.32
PTPN11 Q06124 1/20 0.32
CSNK1D P48730 1/20 0.32
KAT6A Q92794 1/20 0.31
DHODH Q02127 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
SCHEMBL1936689 0.89 LMNA (0.33) LMNA
SCHEMBL12164724 0.88 KEAP1 (0.38) KEAP1NFE2L2CYP19A1PTPN2PTPN1
SCHEMBL12164414 0.88 LMNA (0.36) LMNADHODH
SCHEMBL1935029 0.88 LMNA (0.36) LMNA
SCHEMBL15941967 0.84 CYP19A1 (0.47) KEAP1NFE2L2CYP19A1DHODH
SCHEMBL9911854 0.84 LMNA (0.31) LMNADHODH
SCHEMBL9911851 0.83 MAPT (0.32) LMNA
SCHEMBL12164406 0.82 PPARG (0.32)
SCHEMBL3260972 0.81
SCHEMBL15943549 0.80 FABP3 (0.33) ALDH1A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 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 (2 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 KEAP1 846/4885NFE2L2 1203/4885CYP19A1 2438/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KEAP1 846/4885NFE2L2 1203/4885CYP19A1 2438/4885

“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.