SCHEMBL5175239

SCHEMBL5175239

CC(C)[C@H](NC(=O)OCc1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
ECE1 P42892 2/20 0.44
MME P08473 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CASP1 P29466 1/20 0.43
TSHR P16473 1/20 0.43
CCR1 P32246 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42
ELANE P08246 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5175236 0.85 ALDH1A1 (0.53) TYRECE1MMECTSLCTSB
SCHEMBL6148841 0.80 ADAMTS4 (0.53) TYRECE1MMECTSLCTSB
SCHEMBL1287168 0.80 CTSL (0.63) ECE1MMECTSLCTSBCTSS
SCHEMBL2978398 0.80 CTSL (0.63) ECE1MMECTSLCTSBCTSS
SCHEMBL8671882 0.80 CTSL (0.63) ECE1MMECTSLCTSBCTSS
SCHEMBL220569 0.80 CTSL (0.63) ECE1MMECTSLCTSBCTSS
SCHEMBL19607509 0.79 CTSL (0.55) TYRECE1MMECTSLCTSB
SCHEMBL6150990 0.79 TSHR (0.60) TYRECE1MMECTSLCTSB
SCHEMBL10801663 0.78 TYR (0.49) TYRECE1MMECTSLCTSB
SCHEMBL8744811 0.78 SDCBP (0.51) TSHRALDH1A1SDCBPSDC2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177168-B1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2007-05-30 EP disclosed
US-20040116355-A1 Caspase inhibitors and the use thereof CYTOVIA, INC. 2004-06-17 US disclosed
US-6716818-B2 DIPEPTIDE DERIVATIVES CYTOVIA, INC. 2004-04-06 US disclosed
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP disclosed
US-20020058631-A1 Caspase inhibitors and the use thereof CYTOVIA, INC. 2002-05-16 US disclosed
US-6355618-B1 ENZYME INHIBITORS CYTOVIA, INC. 2002-03-12 US disclosed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP disclosed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 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-20020058631-A1 Caspase inhibitors and the use thereof CASP1, CASP3, CASP10 TYR 3867/4885ECE1 243/4885MME 697/4885

“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.