SCHEMBL3428406

SCHEMBL3428406

CC(C)(C)OC(=O)N1C[C@H](O)C2(CC2)[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NR1H2 P55055 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR2 P41597 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
SCHEMBL883199 0.85 NR1H2 (0.35) CHRM2CHRM1CHRM3NR1H2FPR3
SCHEMBL883349 0.85 HSD17B10 (0.37) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL875744 0.83 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL875743 0.83 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL21367078 0.74 HSD17B10 (0.33) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL35211488 0.73 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL883204 0.72 HSD17B10 (0.42) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL16369976 0.72 HSD17B10 (0.42) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL17654997 0.72 HSD17B10 (0.42) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL905275 0.72 HSD17B10 (0.42) HSD17B10CHRM2CHRM1CHRM3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP HSD17B10 2966/4885CHRM2 4758/4885CHRM1 4719/4885

“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.