SCHEMBL3327113

SCHEMBL3327113

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CASP1 P29466 10/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CTRB1 P17538 2/20 0.48
KYNU Q16719 1/20 0.46
SYK P43405 1/20 0.46
CTSK P43235 2/20 0.46

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
SCHEMBL3327107 1.00 ATM (0.51) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL3329316 0.90 ATM (0.49) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL27782428 0.90 ATM (0.49) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL13300765 0.90 ATM (0.49) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL25222634 0.86 TRPM8 (0.55) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL25224988 0.86 TRPM8 (0.55) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL25271394 0.86 TRPM8 (0.55) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL6174500 0.86 SYK (0.55) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL5499732 0.86 SYK (0.55) ATMCASP1TRPM8CTRB1KYNU
SCHEMBL19859590 0.83 ATM (0.56) ATMCASP1TRPM8CTRB1CTSK

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-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
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 1998/4885CASP1 2031/4885TRPM8 4702/4885

“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.