SCHEMBL7598637

SCHEMBL7598637

CC(C)[C@H](NC(=O)C1CNCCO1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 15/20 0.50
CTSC P53634 1/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL7598015 0.86 SSTR4 (0.48) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL6443910 0.86 SSTR4 (0.42) SSTR4CTSCALDH1A1SMN1; SMN2
SCHEMBL4956052 0.85 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL20711876 0.83 SSTR4 (0.55) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL29516296 0.83 SSTR4 (0.55) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL21625333 0.78 SSTR4 (0.51) SSTR4CTSCSMN1; SMN2
SCHEMBL9304079 0.77 HPGD (0.57) ALDH1A1SMN1; SMN2TP53
SCHEMBL24720138 0.77 SSTR4 (0.46) SSTR4CTSC
SCHEMBL6442806 0.76 SSTR4 (0.41) SSTR4CTSCREN
SCHEMBL9852723 0.75 SSTR4 (0.44) SSTR4CTSCSSTR1SSTR2SSTR3

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 11/4885ALDH1A1 1415/4885

“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.