SCHEMBL4370530

SCHEMBL4370530

COC(=O)C1CCCN1C(=O)C(NCC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.45
CMA1 P23946 14/20 0.45
ELANE P08246 1/20 0.42
PEPD P12955 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
XPNPEP1 Q9NQW7 1/20 0.39
ACE P12821 1/20 0.39
CTRC Q99895 1/20 0.39

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
SCHEMBL7316962 0.85 CMA1 (0.51) KLK5CMA1ELANEPEPDCTSL
SCHEMBL8352620 0.85 CMA1 (0.51) KLK5CMA1ELANEPEPDCTSL
SCHEMBL8168154 0.85 CMA1 (0.51) KLK5CMA1ELANEPEPDCTSL
SCHEMBL4369534 0.84 PEPD (0.46) KLK5CMA1ELANEPEPDXPNPEP1
SCHEMBL8046113 0.84 KLK5 (0.51) KLK5CMA1ELANEPEPDXPNPEP1
SCHEMBL14202917 0.84 KLK5 (0.51) KLK5CMA1ELANEPEPDXPNPEP1
SCHEMBL4372740 0.81 PEPD (0.50) CMA1ELANEPEPDXPNPEP1ACE
SCHEMBL7311829 0.80 KLK5 (0.53) KLK5CMA1ELANEPEPDCTSL
SCHEMBL17348390 0.80 KLK5 (0.53) KLK5CMA1ELANEPEPDCTSL
SCHEMBL14235323 0.80 KLK5 (0.53) KLK5CMA1ELANEPEPDCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 US 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 (2 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR KLK5 2724/4885CMA1 2238/4885ELANE 3419/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR KLK5 2724/4885CMA1 2238/4885ELANE 3419/4885

“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.