SCHEMBL21458028

SCHEMBL21458028

CC(C)CC(NC(=O)O)C(=O)NC(CCc1ccccc1)C(O)C(=O)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.49
CAPN1 P07384 5/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
ANPEP P15144 1/20 0.44
MMP3 P08254 1/20 0.44
PSMB1 P20618 1/20 0.43
CPA1 P15085 1/20 0.43
CPA2 P48052 1/20 0.43
CPA4 Q9UI42 1/20 0.43
CTSK P43235 1/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.42

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
SCHEMBL3840760 1.00 REN (0.49) RENCAPN1PSEN1PSEN2APH1B
SCHEMBL3841326 0.89 CAPN1 (0.52) RENCAPN1PSEN1PSEN2APH1B
SCHEMBL21458009 0.89 CAPN1 (0.52) RENCAPN1PSEN1PSEN2APH1B
SCHEMBL21458081 0.88 CAPN1 (0.66) RENCAPN1PSMB1CTSKCTSL
SCHEMBL21458079 0.88 CAPN1 (0.66) RENCAPN1PSMB1CTSKCTSL
SCHEMBL4401138 0.88 CAPN1 (0.66) RENCAPN1PSMB1CTSKCTSL
SCHEMBL3837915 0.84 PSMB1 (0.50) RENANPEPMMP3PSMB1CPA1
SCHEMBL21458026 0.84 MEN1 (0.46) RENCAPN1PSMB1
SCHEMBL30128799 0.83 CTSK (0.47) RENCAPN1PSMB1CTSKCTSS
SCHEMBL3844110 0.82 CAPN1 (0.64) RENCAPN1ANPEPMMP3CPA1

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 2 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
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER OSAKA CITY UNIVERSITY (JP) 2019-10-17 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 (2 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 REN 2031/4885CAPN1 4158/4885PSEN1 691/4885
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder PMP22, PRPH, NGF REN 2031/4885CAPN1 4158/4885PSEN1 691/4885

“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.