SCHEMBL17130775

SCHEMBL17130775

CC(C)C[C@@H](CNCC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.50
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46
▸ CASP3 P42574 1/20 0.43
▸ CTSK P43235 3/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ TNF P01375 1/20 0.43

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
SCHEMBL29480443 0.83 CTSK (0.58) PTPN1CTSKCTSSCTSLCTSB
SCHEMBL17130698 0.82 SYK (0.49) —
SCHEMBL17935598 0.82 CASP3 (0.48) PTPN1CASP3
SCHEMBL9449847 0.81 CTSK (0.57) PTPN1CTSKCTSSCTSLCTSB
SCHEMBL25186508 0.79 CASP3 (0.59) PTPN1CASP3
SCHEMBL119197 0.79 CASP3 (0.59) PTPN1CASP3
SCHEMBL14265318 0.79 CASP3 (0.59) PTPN1CASP3
SCHEMBL29400907 0.79 CASP3 (0.59) PTPN1CASP3
SCHEMBL30759963 0.79 CASP3 (0.59) PTPN1CASP3
SCHEMBL9449865 0.79 CASP3 (0.50) PTPN1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170058002-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2017-03-02 — — US disclosed
US-9499587-B2 Gamma-AApeptides with potent and broad-spectrum antimicrobial activity UNIVERSITY OF SOUTH FLORIDA (US) 2016-11-22 — — US disclosed
US-20150274782-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2015-10-01 — — 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-20150274782-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY ANPEP, DNPEP, ENPEP PTPN1 1020/4885PSMB1 1396/4885PSMB5 1765/4885
US-20170058002-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY ANPEP, DNPEP, ENPEP PTPN1 1020/4885PSMB1 1396/4885PSMB5 1765/4885

“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.

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