SCHEMBL2121652

SCHEMBL2121652

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL2593873 0.83 USP2 (0.32) PPM1DCHRM2CHRM1CHRM3USP2
SCHEMBL875047 0.77 CHRM2 (0.36) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL2119472 0.77 CHRM2 (0.36) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL143218 0.76 SMN1; SMN2 (0.33) PPM1DCHRM2CHRM1CHRM3USP2
SCHEMBL15512775 0.76 SMN1; SMN2 (0.33) PPM1DCHRM2CHRM1CHRM3USP2
SCHEMBL29069175 0.73 PPM1D (0.36) PPM1DUSP2SMN1; SMN2
SCHEMBL29039969 0.73 PPM1D (0.36) PPM1DUSP2SMN1; SMN2
SCHEMBL29039966 0.73 PPM1D (0.36) PPM1DUSP2SMN1; SMN2
SCHEMBL377199 0.73 PPM1D (0.36) PPM1DUSP2SMN1; SMN2
SCHEMBL31105174 0.73 PPM1D (0.36) PPM1DUSP2SMN1; SMN2

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 1 patent. 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

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 PPM1D 1670/4885CHRM2 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.