SCHEMBL3844110

SCHEMBL3844110

CC(C)C[C@H](NC(=O)O)C(=O)N[C@@H](CCc1ccccc1)C(=O)C(=O)NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.64
MMP3 P08254 4/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
MMP2 P08253 5/20 0.46
REN P00797 1/20 0.45
ANPEP P15144 1/20 0.45
MMP1 P03956 2/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
PSMB5 P28074 1/20 0.44
MMP8 P22894 1/20 0.44
CPA1 P15085 1/20 0.44
CPA2 P48052 1/20 0.44
CPA4 Q9UI42 1/20 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
SCHEMBL21457995 1.00 CAPN1 (0.64) CAPN1MMP3CTSLCTSBMMP2
SCHEMBL365076 0.89 CAPN1 (0.75) CAPN1CTSLCTSBPSMB5
SCHEMBL19552326 0.89 CAPN1 (0.75) CAPN1CTSLCTSBPSMB5
SCHEMBL4396744 0.87 CAPN1 (0.84) CAPN1CTSLCTSB
SCHEMBL21458078 0.87 CAPN1 (0.84) CAPN1CTSLCTSB
SCHEMBL3837984 0.84 ANPEP (0.50) MMP3CTSLMMP2ANPEPMMP1
SCHEMBL21458073 0.84 ANPEP (0.50) MMP3CTSLMMP2ANPEPMMP1
SCHEMBL13934280 0.83 CAPN1 (0.59) CAPN1CTSLCTSB
SCHEMBL3840760 0.82 REN (0.49) CAPN1MMP3CTSLRENANPEP
SCHEMBL21458028 0.82 REN (0.49) CAPN1MMP3CTSLRENANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1692098-B1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CAPN1 2767/4885MMP3 2461/4885CTSL 3697/4885
US-20070004643-A1 Alpha-ketoamide derivative, and production method and use thereof CAPN1, CAPN2, CAPNS1 CAPN1 1/4885MMP3 359/4885CTSL 311/4885
US-20160250276-A1 LISSENCEPHALY THERAPEUTIC AGENT ASPH, DCX, P4HA1 CAPN1 2695/4885MMP3 2246/4885CTSL 3699/4885

“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.