SCHEMBL3328135

SCHEMBL3328135

COC(OC)C(CCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.54
CTSL P07711 9/20 0.51
KYNU Q16719 1/20 0.50
CTSB P07858 2/20 0.49
ATM Q13315 2/20 0.49
CTRB1 P17538 2/20 0.49
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.47
CTSK P43235 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3331611 0.86 TRPM8 (0.67) TRPM8CTSLKYNUCTSBATM
SCHEMBL25271394 0.85 TRPM8 (0.55) TRPM8KYNUATMCTRB1ALDH1A1
SCHEMBL25222634 0.85 TRPM8 (0.55) TRPM8KYNUATMCTRB1ALDH1A1
SCHEMBL25224988 0.85 TRPM8 (0.55) TRPM8KYNUATMCTRB1ALDH1A1
SCHEMBL3333284 0.84 CTSK (0.60) TRPM8CTSLCTSBATMCTSK
SCHEMBL30484725 0.84 TRPM8 (0.49) TRPM8CTSLKYNUCTSBATM
SCHEMBL13536987 0.81 CTSL (0.54) TRPM8CTSLCTSBATMCTRB1
SCHEMBL1701841 0.81 CTSL (0.51) TRPM8CTSLCTSBATMCTRB1
SCHEMBL8100463 0.81 CTSL (0.51) TRPM8CTSLCTSBATMCTRB1
SCHEMBL8100330 0.81 CTSL (0.51) TRPM8CTSLCTSBATMCTRB1

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 7 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
CN-101679223-B Deacetalization of alpha aminoacetals CLARIANT SPECIALTY FINE CHEM 2014-04-16 CN 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 TRPM8 4702/4885CTSL 1941/4885KYNU 87/4885

“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.