SCHEMBL4369534

SCHEMBL4369534

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PEPD P12955 2/20 0.46
XPNPEP1 Q9NQW7 1/20 0.43
CMA1 P23946 11/20 0.43
FKBP1A P62942 1/20 0.43
KLK5 Q9Y337 1/20 0.41
ELANE P08246 2/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 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
SCHEMBL4370530 0.84 KLK5 (0.45) PEPDXPNPEP1CMA1KLK5ELANE
SCHEMBL4372740 0.83 PEPD (0.50) PEPDXPNPEP1CMA1FKBP1AELANE
SCHEMBL7316962 0.82 CMA1 (0.51) PEPDXPNPEP1CMA1KLK5ELANE
SCHEMBL8168154 0.82 CMA1 (0.51) PEPDXPNPEP1CMA1KLK5ELANE
SCHEMBL8352620 0.82 CMA1 (0.51) PEPDXPNPEP1CMA1KLK5ELANE
SCHEMBL19193849 0.80 PEPD (0.48) PEPDXPNPEP1FKBP1AKLK5POLB
SCHEMBL1985159 0.78 ELANE (0.48) CMA1ELANE
SCHEMBL12598149 0.78 ELANE (0.48) CMA1ELANE
SCHEMBL4370494 0.78 DPP4 (0.58) PEPDXPNPEP1FKBP1AELANEPOLB
SCHEMBL6738391 0.78 DPP4 (0.58) PEPDXPNPEP1FKBP1AELANEPOLB

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 PEPD 4783/4885XPNPEP1 3358/4885CMA1 2238/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR PEPD 4783/4885XPNPEP1 3358/4885CMA1 2238/4885

“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.