SCHEMBL10141913

SCHEMBL10141913

CCC(C)C(=O)[C@@H](NC(=O)O[C@@H]1CCOC1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.36
CTSS P25774 2/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CTSD P07339 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
CNR1 P21554 1/20 0.36
TBXAS1 P24557 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPK1 P28482 3/20 0.34
NR1H4 Q96RI1 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
PDE4D Q08499 3/20 0.32
ACACB O00763 4/20 0.31
EPHX1 P07099 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
SCHEMBL11928910 0.92 EPHX1 (0.35) CTSLCTSSCYP3A4MAPK1ACACB
SCHEMBL13183765 0.92 EPHX1 (0.35) CTSLCTSSCYP3A4MAPK1ACACB
SCHEMBL13122196 0.88 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL18117337 0.88 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL888675 0.88 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL8923279 0.84 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL890192 0.84 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL12330853 0.84 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL13154796 0.84 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA
SCHEMBL18117412 0.84 CTSL (0.37) CTSLCTSSMLNRABCB11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CTSL 312/4885CTSS 571/4885MLNR 2147/4885

“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.