SCHEMBL883198

SCHEMBL883198

COC(=O)[C@@H]1[C@@H](C)[C@](C)(O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NR1H2 P55055 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR2 P41597 1/20 0.32
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4B Q07343 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL883279 1.00 PTPN1 (0.34) PTPN1ALDH1A1NR1H2HDAC8NR1H3
SCHEMBL883197 0.85 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL10265402 0.85 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL883277 0.85 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL883296 0.83 HSD17B10 (0.33) NR1H2HDAC8MAPK1CHRM2CHRM1
SCHEMBL21561525 0.83 HDAC8 (0.35) PTPN1ALDH1A1NR1H2HDAC8NR1H3
SCHEMBL15718541 0.82 PTPN1 (0.33) PTPN1ALDH1A1NR1H2HDAC8NR1H3
SCHEMBL18094001 0.82 PTPN1 (0.33) PTPN1ALDH1A1NR1H2HDAC8NR1H3
SCHEMBL32664237 0.77 CHRM2 (0.38) NR1H2MAPK1EPHX2CHRM2CHRM1
SCHEMBL31239021 0.77 MAPK1 (0.37) NR1H2MAPK1CHRM2CHRM1CHRM3

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 PTPN1 3585/4885ALDH1A1 1706/4885NR1H2 2556/4885

“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.