SCHEMBL7063703

SCHEMBL7063703

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.55
CASP3 P42574 2/20 0.55
CASP7 P55210 2/20 0.55
CASP6 P55212 2/20 0.55
CASP8 Q14790 2/20 0.55
SYK P43405 1/20 0.55
CTSL P07711 4/20 0.53
CTSK P43235 4/20 0.53
CTSS P25774 3/20 0.53
CTSB P07858 3/20 0.53
CAPN1 P07384 1/20 0.49
ELANE P08246 2/20 0.48
PRTN3 P24158 1/20 0.48
ATM Q13315 1/20 0.48
CASP9 P55211 1/20 0.48

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
SCHEMBL5311477 0.90 SYK (0.52) CASP1CASP3CASP7CASP6CASP8
SCHEMBL25721690 0.90 CTSL (0.59) CASP3SYKCTSLCTSKCTSS
SCHEMBL2498348 0.87 CTSL (0.57) CASP1CASP3CASP7CASP6CASP8
SCHEMBL11657615 0.87 SYK (0.59) CASP1CASP3CASP7CASP6CASP8
SCHEMBL20885259 0.87 SYK (0.59) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6791504 0.86 SYK (0.56) CASP1SYKCTSLCTSKCTSS
SCHEMBL16847486 0.86 SYK (0.61) CASP1CASP3CASP7CASP6CASP8
SCHEMBL29682213 0.85 SYK (0.50) CASP1CASP3CASP7CASP6CASP8
SCHEMBL30672394 0.85 SYK (0.50) CASP1CASP3CASP7CASP6CASP8
SCHEMBL1644413 0.85 CTSL (0.55) CASP1CASP3CASP7CASP6CASP8

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
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-10-19 US disclosed
EP-0920325-A3 TETRAPEPTIDE DERIVATIVES OF DOLASTATIN AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
US-5939527-A SYNTHETIC OLIGOPEPTIDE WITH BIOLOGICAL ACTIVITY OF DOLASTATIN FROM SEA HARE BASF AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
EP-0920325-A2 TETRAPEPTIDE DERIVATIVES OF DOLASTATIN AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
EP-0915908-A1 DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
US-5741892-A Pentapeptides as antitumor agents BASF AKTIENGESELLSCHAFT (DE) 1998-04-21 US disclosed
WO-1998004581-A1 DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-02-05 WO disclosed
WO-1998004278-A2 TETRAPEPTIDE DERIVATIVES OF DOLASTATIN AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-02-05 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-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, PKD1, ACE2 CASP1 450/4885CASP3 1846/4885CASP7 1935/4885

“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.