SCHEMBL2105880

SCHEMBL2105880

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)CC2CC2)CN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.46
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38

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
SCHEMBL696639 0.83 CHRNB2 (0.36) ARG1MEN1KMT2AKDM4E
SCHEMBL4553038 0.75 CYP2D6 (0.56) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL21841556 0.75 CYP2D6 (0.56) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL696592 0.75 CYP2D6 (0.43) ARG1CYP1A2ALOX15CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL27149169 0.73 CYP2D6 (0.53) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL2107038 0.72 CYP2D6 (0.52) ARG1CYP1A2ALOX15CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL26113249 0.71 CYP2D6 (0.50) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL4862322 0.71 ARG1 (0.56) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL4872434 0.71 ARG1 (0.66) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL16600364 0.69 APLNR (0.34)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 ARG1 12/4885CYP1A2 936/4885ALOX15 2923/4885

“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.