SCHEMBL874864

SCHEMBL874864

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PTPN1 P18031 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PDE4B Q07343 1/20 0.31
TSHR P16473 1/20 0.30
CCR2 P41597 2/20 0.30
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
SCHEMBL2119467 1.00 NR1H2 (0.32) NR1H2NR1H3PTPN1CHRM2CHRM1
SCHEMBL874863 1.00 NR1H2 (0.32) NR1H2NR1H3PTPN1CHRM2CHRM1
SCHEMBL875468 0.87 HSD17B10 (0.34) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL15719896 0.86
SCHEMBL24411297 0.81 EPHX1 (0.36) NR1H2NR1H3PTPN1CHRM2CHRM1
SCHEMBL29819835 0.81 EPHX1 (0.36) NR1H2NR1H3PTPN1CHRM2CHRM1
SCHEMBL2954122 0.81 EPHX1 (0.36) NR1H2NR1H3PTPN1CHRM2CHRM1
SCHEMBL375503 0.81 EPHX1 (0.36) NR1H2NR1H3PTPN1CHRM2CHRM1
SCHEMBL5560650 0.81 EPHX1 (0.36) NR1H2NR1H3PTPN1CHRM2CHRM1
SCHEMBL820473 0.81 EPHX1 (0.36) NR1H2NR1H3PTPN1CHRM2CHRM1

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 NR1H2 2556/4885NR1H3 2349/4885PTPN1 3585/4885

“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.