SCHEMBL16367683

SCHEMBL16367683

COC(=O)C[C@H](C)NC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ACACB O00763 9/20 0.36
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNA5 P22460 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ACACA Q13085 1/20 0.31
TET2 Q6N021 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
SCHEMBL8972302 1.00 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL8972346 0.85 LMNA (0.37) TSHRACACBMAPTRAB9AMMP1
SCHEMBL8972157 0.84 MGAM (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL1369013 0.82 CYP2D6 (0.53) CYP2D6CA12CA7CA9CA14
SCHEMBL1369011 0.82 CYP2D6 (0.53) CYP2D6CA12CA7CA9CA14
SCHEMBL8971704 0.82 CYP2D6 (0.53) CYP2D6CA12CA7CA14
SCHEMBL2385474 0.82 CYP2D6 (0.53) CYP2D6CA12CA7CA9CA14
SCHEMBL29689264 0.82 CYP2D6 (0.53) CYP2D6CA12CA7CA9CA14
SCHEMBL1144274 0.82 MGAM (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL754155 0.82 ACACB (0.36) ACACBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 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 (1 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-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TSHR 4635/4885HSD17B10 1305/4885MGAM 3627/4885

“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.