SCHEMBL4399439

SCHEMBL4399439

CCOC(=O)[C@H](CC(C)C)NC(=O)OCCOC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
PPID Q08752 1/20 0.42
CTSK P43235 6/20 0.41
CTSL P07711 3/20 0.41
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.41
CAPN1 P07384 1/20 0.39
TYR P14679 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37

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
SCHEMBL21457974 1.00 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTPPID
SCHEMBL4395913 0.85 ALDH1A1 (0.50) CTSKCTSLCTSSCTSBTYR
SCHEMBL6900424 0.84 PPID (0.50) CYP1A2CYP2C9CYP2C19HTTPPID
SCHEMBL15374288 0.83 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTPPID
SCHEMBL15107084 0.83 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTPPID
SCHEMBL9596442 0.83 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTPPID
SCHEMBL4393409 0.82 PPID (0.44) CYP1A2CYP2C9CYP2C19HTTPPID
SCHEMBL10087935 0.80 SMN1; SMN2 (0.47) CYP1A2CYP2C9CYP2C19HTTPPID
SCHEMBL21458040 0.79 CAPN1 (0.45) PPIDCAPN1TYRTAS1R3TAS1R1
SCHEMBL21457959 0.79 CAPN1 (0.45) PPIDCAPN1TYRTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder OSAKA CITY UNIVERSITY (JP) 2023-12-19 US disclosed
EP-3466421-B1 COMPOSITION FOR THE TREATMENT OF PERIPHERAL NERVE DISORDERS UNIV OSAKA CITY (JP) 2022-11-30 EP disclosed
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER OSAKA CITY UNIVERSITY (JP) 2019-10-17 US disclosed
EP-3466421-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER Osaka City University (JP) 2019-04-10 EP disclosed
EP-2647386-B1 LISSENCEPHALY THERAPEUTIC AGENT UNIV OSAKA CITY (JP) 2018-09-05 EP disclosed
US-9539298-B2 Lissencephaly therapeutic agent OSAKA CITY UNIVERSITY (JP) 2017-01-10 US disclosed
US-20160250276-A1 LISSENCEPHALY THERAPEUTIC AGENT OSAKA CITY UNIVERSITY (JP) 2016-09-01 US disclosed
US-9371359-B2 Lissencephaly therapeutic agent OSAKA CITY UNIVERSITY (JP) 2016-06-21 US disclosed
EP-2647386-A1 LISSENCEPHALY THERAPEUTIC AGENT Osaka City University (JP) 2013-10-09 EP disclosed
US-20130244945-A1 LISSENCEPHALY THERAPEUTIC AGENT OSAKA CITY UNIVERSITY 2013-09-19 US disclosed
US-7491705-B2 Alpha-ketoamide derivative, and production method and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20070004643-A1 Alpha-ketoamide derivative, and production method and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 US disclosed
EP-1692098-A1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2006-08-23 EP disclosed
WO-2005056519-A1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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 (5 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-20130244945-A1 LISSENCEPHALY THERAPEUTIC AGENT ASPH, DCX, ERH CYP1A2 2069/4885CYP2C9 4500/4885CYP2C19 4205/4885
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER PMP22, PRPH, NGF CYP1A2 2160/4885CYP2C9 3509/4885CYP2C19 3347/4885
US-20070004643-A1 Alpha-ketoamide derivative, and production method and use thereof CAPN1, CAPN2, CAPNS1 CYP1A2 135/4885CYP2C9 469/4885CYP2C19 380/4885
US-20160250276-A1 LISSENCEPHALY THERAPEUTIC AGENT ASPH, DCX, P4HA1 CYP1A2 2204/4885CYP2C9 4565/4885CYP2C19 4274/4885
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder PMP22, PRPH, NGF CYP1A2 2160/4885CYP2C9 3509/4885CYP2C19 3347/4885

“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.