SCHEMBL883277

SCHEMBL883277

C[C@H]1[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C[C@]1(C)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NR1H2 P55055 1/20 0.33
RORC P51449 5/20 0.32
USP2 O75604 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32

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
SCHEMBL10265402 1.00 HSD17B10 (0.37) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL883197 1.00 HSD17B10 (0.37) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL883296 0.88 HSD17B10 (0.33) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL883279 0.85 PTPN1 (0.34) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL883198 0.85 PTPN1 (0.34) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL32664237 0.79 CHRM2 (0.38) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL13765261 0.79 NR1H2 (0.40) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL31239021 0.76 MAPK1 (0.37) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL27207278 0.74 HSD17B10 (0.40) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL27203890 0.74 HSD17B10 (0.40) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3

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 2966/4885SMN1; SMN2 3001/4885CHRM2 4758/4885

“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.