SCHEMBL700342

SCHEMBL700342

CC(C)(C)OC(=O)N1C[C@H](S(=O)(=O)CC2CC2)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 1/20 0.40
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
AGTR2 P50052 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BTK Q06187 1/20 0.34
HSD11B1 P28845 1/20 0.34
STS P08842 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL699042 0.88 NR1H2 (0.39) SMN1; SMN2HSD17B10NR1H2CTSLCTSB
SCHEMBL2250201 0.87 HSD17B10 (0.43) SMN1; SMN2HSD17B10NR1H2CTSLCTSB
SCHEMBL23925765 0.81 HSD17B10 (0.42) SMN1; SMN2HSD17B10NR1H2CTSLCTSB
SCHEMBL23925766 0.81 HSD17B10 (0.42) SMN1; SMN2HSD17B10NR1H2CTSLCTSB
SCHEMBL696186 0.81 HSD17B10 (0.42) SMN1; SMN2HSD17B10NR1H2CTSLCTSB
SCHEMBL695593 0.81 MEN1 (0.33) SMN1; SMN2NR1H2CTSLCTSBCTSS
SCHEMBL19899315 0.79 STS (0.49) NR1H2AGTR2STS
SCHEMBL21104741 0.79 STS (0.49) NR1H2AGTR2STS
SCHEMBL5510416 0.78 NR1H2 (0.44) SMN1; SMN2HSD17B10NR1H2POLBKMT2A
SCHEMBL18256403 0.78 NR1H2 (0.44) SMN1; SMN2HSD17B10NR1H2POLBKMT2A

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 5 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
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP 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 SMN1; SMN2 3026/4885HSD17B10 1826/4885NR1H2 1251/4885

“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.