SCHEMBL16367682

SCHEMBL16367682

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA7 P43166 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 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
SCHEMBL19305318 0.83 CA2 (0.65) CA7CA1CA2CYP2D6REN
SCHEMBL17724546 0.83 CA2 (0.65) CA7CA1CA2CYP2D6REN
SCHEMBL18526743 0.83 CA1 (0.42) CA7CA1CA2TSHRCYP2D6
SCHEMBL15786204 0.83 TSHR (0.39) CA7CA1CA2TSHRHSD17B10
SCHEMBL754156 0.83 CA1 (0.42) CA7CA1CA2TSHRCYP2D6
SCHEMBL17208361 0.82 TSHR (0.38) CA7CA1CA2TSHRHSD17B10
SCHEMBL13397345 0.80 CYP2C9 (0.39) CA7CA1CA2TSHRHSD17B10
SCHEMBL14864770 0.78 CA1 (0.44) CA7CA1CA2TSHRSMN1; SMN2
SCHEMBL903800 0.78 CA1 (0.44) CA7CA1CA2TSHRSMN1; SMN2
SCHEMBL9557062 0.78 CA1 (0.44) CA7CA1CA2TSHRSMN1; SMN2

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 CA7 4114/4885CA1 4434/4885CA2 4556/4885

“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.