SCHEMBL6441702

SCHEMBL6441702

CC(C)(C)OC(=O)N[C@H](c1cccs1)[C@@H](O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.46
CTSS P25774 7/20 0.46
CTSL P07711 2/20 0.40
REN P00797 1/20 0.40
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.38
CTSB P07858 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KEAP1 Q14145 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 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
SCHEMBL1789747 0.83 CTSK (0.48) CTSKCTSSCTSLRENPPARA
SCHEMBL3220161 0.83 CTSK (0.48) CTSKCTSSCTSLRENPPARA
SCHEMBL3685468 0.83 CTSK (0.48) CTSKCTSSCTSLRENPPARA
SCHEMBL29131212 0.83 CTSK (0.46) CTSKCTSSCTSLRENPPARA
SCHEMBL6166 0.80 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL7087412 0.80 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL13363641 0.80 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL144832 0.80 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL767076 0.80 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL335777 0.80 CTSK (0.51) CTSKCTSSPPARAPPARGATM

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-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases TOCQUE BRUNO 2005-09-22 US disclosed
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases TOCQUE BRUNO (FR) 2004-07-01 US disclosed
US-20010021395-A1 Method for destroying hyperproliferative cells by combined p53 and taxoid treatment TOCQUE BRUNO (FR) 2001-09-13 US disclosed
US-6262032-B1 WHEREIN THE ADENOVIRAL VECTOR AND THE TAXOID COMPOUND ARE BROUGHT INTO CONTACT WITH THE CELL SIMULTANEOUSLY. AVENTIS PHARMA S.A. (FR) 2001-07-17 US disclosed
US-5670536-A Pharmaceutical composition based on taxoids RHONE-POULENC RORER S.A. (FR) 1997-09-23 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 (3 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-20010021395-A1 Method for destroying hyperproliferative cells by combined p53 and taxoid treatment TP53, HRAS, MYC CTSK 1348/4885CTSS 2004/4885CTSL 2348/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSK 3043/4885CTSS 3468/4885CTSL 2692/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSK 3043/4885CTSS 3468/4885CTSL 2692/4885

“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.