SCHEMBL7607638

SCHEMBL7607638

CC(=O)Br.O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CNCCO1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.50
CTSC P53634 8/20 0.49
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GHSR Q92847 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 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
SCHEMBL7360271 0.94 CTSC (0.53) SSTR4CTSCITGB1ITGA4LMNA
SCHEMBL7360264 0.94 CTSC (0.53) SSTR4CTSCITGB1ITGA4LMNA
SCHEMBL10608847 0.84 ITGB1 (0.53) SSTR4CTSCITGB1ITGA4GHSR
SCHEMBL7028943 0.77 CTSL (0.45) SSTR4CTSC
SCHEMBL7378885 0.77 ITGB1 (0.71) ITGB1ITGA4LMNATDP1KMT2A
SCHEMBL7536303 0.76 CTSC (0.46) SSTR4CTSCKCNH2
SCHEMBL8085216 0.76 GHSR (0.41) SSTR4CTSCITGB1ITGA4GHSR
SCHEMBL9554692 0.75 CTSC (0.44) SSTR4CTSCKCNH2
SCHEMBL9852723 0.75 SSTR4 (0.44) SSTR4CTSCKCNH2
Afalanine SCHEMBL7289071 0.74 L3MBTL1 (0.51) LMNATDP1KMT2AL3MBTL1

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-A4 1998-09-16 EP disclosed
EP-0863883-A1 ALPHA-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC., (US) 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 SSTR4 4772/4885CTSC 11/4885ITGB1 3149/4885

“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.