SCHEMBL5174682

SCHEMBL5174682

CC(C)[C@H](NC(=O)OCc1ccccc1Cl)C(=O)NC(CC(=O)OC(C)(C)C)C(O)CF

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.39
KLK5 Q9Y337 1/20 0.39
CTSD P07339 2/20 0.39
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 3/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
TACR1 P25103 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5494468 0.87 CTSD (0.51) RENKLK5CTSD
SCHEMBL6847601 0.79 ALDH1A1 (0.40) CTSDALDH1A1BACE1TACR1CYP1A2
SCHEMBL4426250 0.75 CASP3 (0.58) RENCTSD
SCHEMBL27564532 0.75 CTSK (0.59) REN
SCHEMBL625910 0.73 CTSD (0.44) RENKLK5CTSD
SCHEMBL10073352 0.73 CTSD (0.44) RENKLK5CTSD
SCHEMBL4434235 0.73 CTSD (0.44) RENKLK5CTSD
SCHEMBL5175236 0.72 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7093970 0.72 TRPA1 (0.46) REN
SCHEMBL5174687 0.71 SYK (0.42) KLK5TACR1

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 REN 515/4885KLK5 1579/4885CTSD 94/4885

“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.