SCHEMBL7598015

SCHEMBL7598015

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 16/20 0.48
CTSC P53634 1/20 0.40
REN P00797 1/20 0.39
TSHR P16473 1/20 0.39
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35

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
SCHEMBL7598637 0.86 SSTR4 (0.50) SSTR4CTSCRENSSTR1SSTR2
SCHEMBL20711876 0.81 SSTR4 (0.55) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL29516296 0.81 SSTR4 (0.55) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL9303399 0.78 HPGD (0.51) TSHR
SCHEMBL9303388 0.78 HPGD (0.51) TSHR
SCHEMBL9303877 0.77 TSHR (0.50) TSHR
SCHEMBL9303874 0.77 TSHR (0.50) TSHR
SCHEMBL4956052 0.77 SSTR4 (0.52) SSTR4CTSCRENSSTR1SSTR2
SCHEMBL29789518 0.75 TSHR (0.44) TSHR
SCHEMBL21625333 0.75 SSTR4 (0.51) SSTR4CTSC

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 SSTR4 4772/4885CTSC 11/4885REN 497/4885

“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.