SCHEMBL6439138

SCHEMBL6439138

COc1ccc([C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CNR2 P34972 2/20 0.40
CACNA1B Q00975 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ATM Q13315 1/20 0.39
S1PR3 Q99500 1/20 0.38
LDHA P00338 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
AKR1C3 P42330 2/20 0.38

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
SCHEMBL16174112 0.87 ABCB1 (0.51) ABCB1PPARGPPARANPSR1CTSS
SCHEMBL5860845 0.86 ABCB1 (0.51) ABCB1PPARGPPARANPSR1CTSS
SCHEMBL6443317 0.86 PPARA (0.48) PPARGPPARACTSSCTSKCACNA1B
SCHEMBL8912015 0.86 PPARA (0.46) PPARGPPARACTSSCTSKATM
SCHEMBL12732987 0.86 ABCB1 (0.53) ABCB1PPARGPPARANPSR1CTSS
SCHEMBL13363641 0.86 CTSK (0.51) PPARGPPARACTSSCTSKATM
SCHEMBL335777 0.86 CTSK (0.51) PPARGPPARACTSSCTSKATM
SCHEMBL12070284 0.86 CTSK (0.51) PPARGPPARACTSSCTSKATM
SCHEMBL6166 0.86 CTSK (0.51) PPARGPPARACTSSCTSKATM
SCHEMBL767076 0.86 CTSK (0.51) PPARGPPARACTSSCTSKATM

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-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-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 ABCB1 2765/4885PPARG 2203/4885PPARA 2010/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 ABCB1 3347/4885PPARG 1273/4885PPARA 1170/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 ABCB1 3347/4885PPARG 1273/4885PPARA 1170/4885

“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.