SCHEMBL7217624

SCHEMBL7217624

CC(C)(C)OC(=O)Nc1cccc(CCC(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
IAPP P10997 3/20 0.39
BRD9 Q9H8M2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
METAP1 P53582 1/20 0.37
BRD4 O60885 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CTSL P07711 1/20 0.37
P2RX7 Q99572 1/20 0.37
HDAC1 Q13547 1/20 0.36
CNR2 P34972 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
SCHEMBL27660942 0.92 NQO2 (0.40) NQO2RXFP1POLBLMNABRD9
SCHEMBL6802648 0.88 LMNA (0.45) RXFP1POLBLMNABRD9NPSR1
SCHEMBL28736190 0.86 NR1H4 (0.45) NQO2RXFP1POLBLMNABRD9
SCHEMBL27433809 0.84 NQO2 (0.39) NQO2RXFP1POLBLMNABRD9
SCHEMBL8661032 0.81 NQO2 (0.38) NQO2RXFP1POLBLMNABRD9
SCHEMBL6784474 0.80 MTNR1A (0.44) NQO2POLBLMNA
SCHEMBL27309736 0.80 CTSS (0.42) NQO2RXFP1POLBLMNAHSP90AA1
SCHEMBL27983901 0.80 POLB (0.40) NQO2RXFP1POLBLMNABRD9
SCHEMBL6502501 0.80 LMNA (0.43) RXFP1POLBLMNABRD9BRD4
SCHEMBL8660694 0.80 NPSR1 (0.48) RXFP1POLBLMNABRD9NPSR1

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-20210169843-A1 NOVEL ANTITUMORAL USE OF CABAZITAXEL SANOFI MATURE IP (FR) 2021-06-10 US disclosed
CN-101959501-B stable single-liquid pharmaceutical composition containing docetaxel DONG A PHARM CO LTD 2012-08-29 CN disclosed
CN-101959501-A Stable single-liquid pharmaceutical composition containing docetaxel DONG A PHARM CO LTD 2011-01-26 CN disclosed
US-6593482-B2 (2R,3S)-3-benzoyl-2-hydroxy-3-phenylpropionate of 4,10-beta-diacetoxy-2 alpha-benzoyloxy-5 beta ,20-epoxy-1,13-alpha-dihydroxy-7-beta-methylthiomethyloxy-9-oxo-tax-11-ene from baccatin and beta-lactam AVENTIS PHARMA S.A. (FR) 2003-07-15 US disclosed
US-20020087013-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-07-04 US disclosed
US-20020010348-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2002-01-24 US disclosed
US-6232477-B1 SILYLATING A BACCATIN; ACETYLATION; DEBLOCKING AVENTIS PHARMA S.A. (FR) 2001-05-15 US disclosed
US-6040466-A Taxoids, their preparation and pharmaceutical compositions containing them RHONE POULENC RORER SA (FR) 2000-03-21 US disclosed
US-5760251-A Taxol process and compounds SEPRACOR, INC. (US) 1998-06-02 US disclosed
WO-1997007110-A1 PROCESS FOR PRODUCING TAXOL DERIVATIVES AND INTERMEDIATES THEREFOR SEPRACOR, INC. (US) 1997-02-27 WO 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-20020010348-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them TOP1, TMSB4X, TUBB1 NQO2 766/4885RXFP1 4136/4885POLB 1794/4885
US-20020087013-A1 Methods for preparing new taxoids and pharmaceutical compositions containing them TOP1, TMSB4X, TUBB1 NQO2 766/4885RXFP1 4136/4885POLB 1794/4885
US-20210169843-A1 NOVEL ANTITUMORAL USE OF CABAZITAXEL KLK3, NR5A1, HSD17B7 NQO2 2381/4885RXFP1 4241/4885POLB 1833/4885

“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.