SCHEMBL6439819

SCHEMBL6439819

CC(C)(C)OC(=O)N[C@@H](c1ccc(F)cc1)[C@@H](O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
S1PR3 Q99500 1/20 0.39
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 3/20 0.38
ATM Q13315 1/20 0.37
ACE P12821 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL6443317 0.87 PPARA (0.48) CTSSCTSKS1PR3PPARAPPARG
SCHEMBL8912015 0.87 PPARA (0.46) CTSSCTSKPPARAPPARGATM
SCHEMBL767076 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL6166 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL144832 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL13363641 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL335777 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL7087412 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL12070284 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA
SCHEMBL8886861 0.87 CTSK (0.51) CTSSCTSKGABRB1GABRB2PPARA

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-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-5939561-A Process for the preparation of β-phenylisoserine and β-lactam and their analogues RHONE-POULENCE RORER S.A. (FR) 1999-08-17 US disclosed
US-5763628-A Process for the preparation of β-phenylisoserine and its analogues RHONE-POULENCE RORER S.A. (FR) 1998-06-09 US disclosed
US-5670536-A Pharmaceutical composition based on taxoids RHONE-POULENC RORER S.A. (FR) 1997-09-23 US disclosed
US-5608102-A Process for the preparation of β-phenylisoserine and its analogues RHONE-POULENC RORER S.A. (FR) 1997-03-04 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 (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 CTSS 2004/4885CTSK 1348/4885S1PR3 3489/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSS 3468/4885CTSK 3043/4885S1PR3 2959/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CTSS 3468/4885CTSK 3043/4885S1PR3 2959/4885

“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.