SCHEMBL3330029

SCHEMBL3330029

O=CC(CC1CCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.52
CTSL P07711 4/20 0.52
CTSK P43235 4/20 0.52
CTSS P25774 2/20 0.52
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CTRB1 P17538 2/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 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
SCHEMBL7271139 0.96 CTSL (0.56) CTSBCTSLCTSKCTSSALDH1A1
SCHEMBL7271134 0.96 CTSL (0.56) CTSBCTSLCTSKCTSSALDH1A1
SCHEMBL24447908 0.95 CTSL (0.50) CTSBCTSLCTSKCTSSALDH1A1
SCHEMBL8138447 0.95 CTSL (0.50) CTSBCTSLCTSKCTSSALDH1A1
SCHEMBL7280270 0.85 CTSB (0.55) CTSBCTSLCTSKCTSSALDH1A1
SCHEMBL15649121 0.82 CTSK (0.62) CTSBCTSLCTSKCTSS
SCHEMBL22122405 0.82 CTSK (0.62) CTSBCTSLCTSKCTSS
SCHEMBL12247730 0.82 SYK (0.53) CTSBCTSLCTSKALDH1A1CYP1A2
SCHEMBL12249929 0.81 YAP1 (0.56)
SCHEMBL5275940 0.80 CTSK (0.59) CTSBCTSLCTSKCTSSCTRB1

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
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

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 CTSB 1587/4885CTSL 1941/4885CTSK 1982/4885

“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.