SCHEMBL883350

SCHEMBL883350

COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@](C)(O)C12CC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CCR2 P41597 2/20 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
HSD17B10 Q99714 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL883019 0.87 PTPN1 (0.35) PTPN1NR1H2NR1H3EPHX2CHRM2
SCHEMBL3432515 0.85 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL26695036 0.78 PTPN1 (0.35) PTPN1NR1H2NR1H3CCR2EPHX2
SCHEMBL5495474 0.77 PTPN1 (0.34) PTPN1NR1H2NR1H3EPHX2CHRM2
SCHEMBL5379806 0.77 PTPN1 (0.34) PTPN1NR1H2NR1H3EPHX2CHRM2
SCHEMBL8337375 0.77 NR1H2 (0.36) PTPN1NR1H2NR1H3CCR2EPHX2
SCHEMBL883020 0.75 HSD17B10 (0.38) NR1H2EPHX2CHRM2CHRM1CHRM3
SCHEMBL5757068 0.73 PTPN1 (0.38) PTPN1NR1H2NR1H3CCR2CHRM2
SCHEMBL882907 0.72 CHRM2 (0.36) PTPN1NR1H2NR1H3CCR2EPHX2
SCHEMBL16914271 0.72 NR1H2 (0.35) PTPN1NR1H2NR1H3CCR2EPHX2

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 3585/4885NR1H2 2556/4885NR1H3 2349/4885

“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.