SCHEMBL21458009

SCHEMBL21458009

CC(C)CC(NC(=O)O)C(=O)NC(Cc1ccccc1)C(O)C(=O)NC1CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.52
PSMB5 P28074 4/20 0.47
REN P00797 3/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PSMB1 P20618 1/20 0.45
MME P08473 1/20 0.45
CTSK P43235 1/20 0.44
CTSL P07711 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
SCHEMBL3841326 1.00 CAPN1 (0.52) CAPN1PSMB5RENPSEN1PSEN2
SCHEMBL21458028 0.89 REN (0.49) CAPN1RENPSEN1PSEN2APH1B
SCHEMBL3840760 0.89 REN (0.49) CAPN1RENPSEN1PSEN2APH1B
SCHEMBL21012396 0.87 REN (0.56) CAPN1RENPSEN1PSEN2APH1B
SCHEMBL21554922 0.87 REN (0.56) CAPN1RENPSEN1PSEN2APH1B
SCHEMBL21526205 0.87 ALDH1A1 (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL21526206 0.87 ALDH1A1 (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3838079 0.86 CAPN1 (0.73) CAPN1RENPSMB1CTSKCTSL
SCHEMBL21526199 0.86 TDP1 (0.48)
SCHEMBL1989246 0.86 TDP1 (0.48)

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
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder OSAKA CITY UNIVERSITY (JP) 2023-12-19 US disclosed
EP-3788031-B1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED S L (ES) 2023-09-27 EP disclosed
US-11242312-B2 Dipeptidyl ketoamide meta-methoxyphenyl derivatives and uses thereof LANDSTEINER GENMED, S.L. (ES) 2022-02-08 US disclosed
US-20210317075-A1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED, S.L. (ES) 2021-10-14 US disclosed
EP-3564211-A1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED, S.L. (ES) 2019-11-06 EP disclosed
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER OSAKA CITY UNIVERSITY (JP) 2019-10-17 US disclosed
CN-103282043-B Congenital agyria therapeutic agent OSAKA CITY UNIVERSITY (JP) 2015-09-30 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 (4 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-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER PMP22, PRPH, NGF CAPN1 4158/4885PSMB5 1795/4885REN 2031/4885
US-11242312-B2 Dipeptidyl ketoamide meta-methoxyphenyl derivatives and uses thereof DPP4, DPP7, DPP3 CAPN1 25/4885PSMB5 852/4885REN 41/4885
US-20210317075-A1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF DPP4, DPP7, DPP3 CAPN1 25/4885PSMB5 852/4885REN 41/4885
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder PMP22, PRPH, NGF CAPN1 4158/4885PSMB5 1795/4885REN 2031/4885

“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.