SCHEMBL6438792

SCHEMBL6438792

CC(C)(C)OC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSS P25774 5/20 0.46
ABCB1 P08183 1/20 0.37
PPARA Q07869 6/20 0.37
PPARG P37231 5/20 0.37
ATM Q13315 1/20 0.36
ACE P12821 1/20 0.36
PTPRB P23467 1/20 0.36
PPARD Q03181 2/20 0.36
TRPA1 O75762 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL335777 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL8886861 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL767076 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL12070284 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL144832 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL7087412 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL6166 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
SCHEMBL13363641 0.83 CTSK (0.51) CTSKCTSSPPARAPPARGATM
Water SCHEMBL7774670 0.82 CTSK (0.53) CTSKCTSSPPARAPPARGATM
Water SCHEMBL8011422 0.82 CTSK (0.53) 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 7 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-20030083497-A1 Taxoids, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA, S.A. 2003-05-01 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
US-5606083-A Process for the preparation of taxane derivatives, new derivatives thus obtained and the compositions which contain them RHONE-POULENC RORER S.A. (FR) 1997-02-25 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 (4 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-20030083497-A1 Taxoids, their preparation and pharmaceutical compositions containing them TBXA2R, CBR1, CBR3 CTSK 1098/4885CTSS 2261/4885ABCB1 4/4885
US-20010021395-A1 Method for destroying hyperproliferative cells by combined p53 and taxoid treatment TP53, HRAS, MYC CTSK 1348/4885CTSS 2004/4885ABCB1 2765/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSK 3043/4885CTSS 3468/4885ABCB1 3347/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSK 3043/4885CTSS 3468/4885ABCB1 3347/4885

“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.