SCHEMBL6443317

SCHEMBL6443317

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
TRPA1 O75762 1/20 0.44
S1PR3 Q99500 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
P2RY2 P41231 1/20 0.40
CACNA1B Q00975 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CTSL P07711 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
ACE P12821 1/20 0.38
PRCP P42785 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
SCHEMBL8912015 0.89 PPARA (0.46) PPARAPPARGALDH1A1CTSSCTSK
SCHEMBL767076 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL13363641 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL8886861 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL144832 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL12070284 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL335777 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL7087412 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL6166 0.88 CTSK (0.51) PPARAPPARGMAPTCTSSCTSK
SCHEMBL23205818 0.87 PPARG (0.47) PPARAPPARGTRPA1S1PR3ALDH1A1

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 6 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-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 PPARA 2010/4885PPARG 2203/4885TRPA1 4595/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 PPARA 1170/4885PPARG 1273/4885TRPA1 4874/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 PPARA 1170/4885PPARG 1273/4885TRPA1 4874/4885

“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.