SCHEMBL3329316

SCHEMBL3329316

CCOC(=O)CC(NC(=O)OCc1ccccc1)C(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
CASP1 P29466 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTRB1 P17538 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
KYNU Q16719 1/20 0.45
SYK P43405 1/20 0.45
CTSK P43235 2/20 0.44

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
SCHEMBL27782428 1.00 ATM (0.49) ATMTRPM8CASP1CTSLCTSB
SCHEMBL13300765 1.00 ATM (0.49) ATMTRPM8CASP1CTSLCTSB
SCHEMBL3333997 0.90 TRPM8 (0.51) ATMTRPM8CASP1CTSLCTSB
SCHEMBL3327113 0.90 ATM (0.51) ATMTRPM8CASP1CTRB1KYNU
SCHEMBL3327107 0.90 ATM (0.51) ATMTRPM8CASP1CTRB1KYNU
SCHEMBL5499732 0.88 SYK (0.55) ATMTRPM8CASP1CTSLCTSB
SCHEMBL6174500 0.88 SYK (0.55) ATMTRPM8CASP1CTSLCTSB
SCHEMBL6044757 0.87 ELANE (0.51) ATMTRPM8CASP1CTSLCTSB
SCHEMBL6044831 0.87 ELANE (0.51) ATMTRPM8CASP1CTSLCTSB
SCHEMBL6044753 0.87 ELANE (0.51) ATMTRPM8CASP1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137139-B1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEM (FR) 2014-09-10 EP disclosed
US-8609882-B2 Process for deacetalisation of α aminoacetals CLARIANT SPECIALITY FINE CHEMICALS (FRANCE) (FR) 2013-12-17 US disclosed
US-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-06-03 US disclosed
CN-101679223-A Deacetalization of alpha aminoacetals CLARIANT SPECIALTY FINE CHEM 2010-03-24 CN disclosed
EP-2137139-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS Clariant Specialty Fine Chemicals (France) (FR) 2009-12-30 EP disclosed
WO-2008125486-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-10-23 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-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals ALDH7A1, AADAT, AASDHPPT ATM 1998/4885TRPM8 4702/4885CASP1 2031/4885

“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.