SCHEMBL16407754

SCHEMBL16407754

CC(C)C(=O)C1(NC(=O)OC(C)(C)C)CCC(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.37
CTSL P07711 1/20 0.34
APLNR P35414 1/20 0.34
NFKB1 P19838 4/20 0.33
NFKB2 Q00653 4/20 0.33
RELA Q04206 4/20 0.33
GAA P10253 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL17916088 0.88 CTSL (0.39) GHSRCTSLAPLNRNFKB1NFKB2
SCHEMBL16407870 0.87 GHSR (0.39) GHSRCTSLAPLNRNFKB1NFKB2
SCHEMBL13307111 0.84 CTSL (0.37) GHSRCTSLAPLNRGAACA1
SCHEMBL17916089 0.84 CTSL (0.37) GHSRCTSLAPLNRGAACA1
SCHEMBL1953820 0.83 GHSR (0.39) GHSRCTSLAPLNRNFKB1NFKB2
SCHEMBL16409146 0.83 GHSR (0.39) GHSRCTSLAPLNRNFKB1NFKB2
SCHEMBL17916090 0.83 CTSL (0.36) GHSRCTSLAPLNRGAACA1
SCHEMBL19388522 0.82 CTSL (0.36) GHSRCTSLAPLNRGAACA1
SCHEMBL2745084 0.82 GHSR (0.38) GHSRCTSLAPLNRNFKB1NFKB2
SCHEMBL15114119 0.81 CTSL (0.35) GHSRCTSLAPLNRGAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 GHSR 4468/4885CTSL 1412/4885APLNR 4617/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 GHSR 4468/4885CTSL 1412/4885APLNR 4617/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS GHSR 4540/4885CTSL 1357/4885APLNR 4426/4885

“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.