SCHEMBL4177618

SCHEMBL4177618

CC(C)(C)OC(=O)N[C@@H](c1ccccc1F)[C@@H](O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSK P43235 3/20 0.46
PTPN1 P18031 1/20 0.42
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ATM Q13315 1/20 0.41
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.40
S1PR3 Q99500 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 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
SCHEMBL18683503 0.88 CTSS (0.42) CTSSCTSKPTPN1ATM
SCHEMBL8901382 0.86 CTSS (0.45) CTSSCTSKPTPN1PPARAPPARG
SCHEMBL8546353 0.85 CTSS (0.41) CTSSCTSKPTPN1PPARAPPARG
SCHEMBL4178016 0.83 HTT (0.44)
SCHEMBL23886587 0.82 CTSS (0.49) CTSSCTSKPTPN1PPARAPPARG
SCHEMBL30370355 0.82 CTSS (0.49) CTSSCTSKPTPN1PPARAPPARG
SCHEMBL16334202 0.82 CTSS (0.49) CTSSCTSKPTPN1PPARAPPARG
SCHEMBL30370648 0.82 CTSS (0.49) CTSSCTSKPTPN1PPARAPPARG
SCHEMBL29571369 0.82 CTSS (0.49) CTSSCTSKPTPN1PPARAPPARG
SCHEMBL8511514 0.82 CTSS (0.49) CTSSCTSKPTPN1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP disclosed
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-5686622-A Thiazolidine derivatives, their preparation and the medicaments containing the same RHONE-POULENC RORER S.A. (FR) 1997-11-11 US disclosed
US-5670536-A Pharmaceutical composition based on taxoids RHONE-POULENC RORER S.A. (FR) 1997-09-23 US disclosed
US-5606068-A Acid anhydrides, their preparation and their use RHONE-POULENC RORER S.A. (FR) 1997-02-25 US disclosed
US-5476954-A Condensing hydroxyl protected taxane derivative with oxazolidine derivative, decyclizing in acid medium, reacting butoxycarbonyl or benzoyl radical with amine, deprotecting, isolating, purifying product RHONE-POULENC RORER S.A. (FR) 1995-12-19 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 CTSS 4449/4885CTSK 4401/4885PTPN1 1026/4885
US-20010021395-A1 Method for destroying hyperproliferative cells by combined p53 and taxoid treatment TP53, HRAS, MYC CTSS 2004/4885CTSK 1348/4885PTPN1 1821/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSS 3468/4885CTSK 3043/4885PTPN1 1869/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSS 3468/4885CTSK 3043/4885PTPN1 1869/4885

“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.