SCHEMBL7607635

SCHEMBL7607635

CC(=O)Br.O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.66
CTSL P07711 3/20 0.62
KMT2A Q03164 2/20 0.60
CTSS P25774 3/20 0.58
CTSB P07858 2/20 0.56
GFER P55789 1/20 0.55
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.52
TACR2 P21452 2/20 0.51
PSMB11 A5LHX3 1/20 0.51
PSMA7 O14818 1/20 0.51
PSMB1 P20618 1/20 0.51
PSMA1 P25786 1/20 0.51

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
SCHEMBL5193787 0.94 POLB (0.74) POLBCTSLKMT2ACTSSCTSB
SCHEMBL7275964 0.94 POLB (0.74) POLBCTSLKMT2ACTSSCTSB
SCHEMBL23489726 0.89 CTSL (0.62) POLBCTSLKMT2ACTSSCTSB
SCHEMBL6795468 0.88 POLB (0.65) POLBCTSLKMT2ACTSSCTSB
SCHEMBL6807325 0.84 POLB (0.61) POLBCTSLKMT2ACTSSCTSB
SCHEMBL9514522 0.84 POLB (0.58) POLBCTSLKMT2ACTSSCTSB
Leucine SCHEMBL1406330 0.84 CTSS (0.62) POLBCTSLKMT2ACTSSCTSB
Norvaline SCHEMBL9514591 0.84 POLB (0.58) POLBCTSLKMT2ACTSSCTSB
SCHEMBL7268474 0.84 POLB (0.76) POLBCTSLCTSSCTSBGFER
SCHEMBL25004070 0.84 CTSS (0.61) POLBCTSLKMT2ACTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors ZIMMERMAN MARY P (US) 2002-09-12 US disclosed
US-6147188-A IRREVERSIBLE CATHEPSIN OR CALPAIN INHIBITORS PROTOTEK, INC. (US) 2000-11-14 US disclosed
EP-0863883-A1 ALPHA-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC., (US) 1998-09-16 EP disclosed
EP-0863883-A4 1998-09-16 EP disclosed
US-5714484-A α-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors PROTOTEK, INC. (US) 1998-02-03 US disclosed
WO-1996040647-A1 α-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC. (US) 1996-12-19 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 (1 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-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors CPN1, CTRL, SERPINB1 POLB 4527/4885CTSL 116/4885KMT2A 1897/4885

“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.