SCHEMBL3620102

SCHEMBL3620102

CN(CC(CC1CCC(O)CC1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
CTSL P07711 2/20 0.44
ATM Q13315 3/20 0.42
KLK7 P49862 4/20 0.42
KLK5 Q9Y337 3/20 0.42
KMT2A Q03164 2/20 0.41
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 3/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3620104 1.00 SYK (0.47) SYKCTSLATMKLK7KLK5
SCHEMBL1859575 1.00 SYK (0.47) SYKCTSLATMKLK7KLK5
SCHEMBL12632045 1.00 SYK (0.47) SYKCTSLATMKLK7KLK5
SCHEMBL12632044 0.93 SYK (0.47) SYKCTSLATMKLK7KLK5
SCHEMBL12632048 0.93 SYK (0.47) SYKCTSLATMKLK7KLK5
SCHEMBL12632047 0.93 SYK (0.47) SYKCTSLATMKLK7KLK5
SCHEMBL1867177 0.92 SYK (0.48) SYKCTSLATMKLK7KLK5
SCHEMBL12632041 0.92 SYK (0.46) SYKCTSLATMKLK7KLK5
SCHEMBL1861661 0.92 SYK (0.46) SYKCTSLATMKLK7KLK5
SCHEMBL3612200 0.90 SYK (0.46) SYKCTSLATMKLK7KLK5

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-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 SYK 3258/4885CTSL 76/4885ATM 3337/4885

“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.