SCHEMBL4172572

SCHEMBL4172572

CC(C)(C)OC(=O)N[C@@H](c1ncccc1F)[C@@H](O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
PTPN1 P18031 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.38
SCN9A Q15858 6/20 0.38
CYP3A4 P08684 4/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
MAPT P10636 3/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TRPA1 O75762 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 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
SCHEMBL14101230 0.89 ALDH1A1 (0.38) S1PR3CTSSCTSKPTPN1TRPM8
SCHEMBL4186308 0.84 TRPM8 (0.39) TRPM8MAPTLMNAHPGDMAPK1
SCHEMBL3196849 0.82 CTSK (0.39) S1PR3CTSSCTSKPTPN1TRPM8
SCHEMBL4181986 0.81 TRPA1 (0.39) CTSSCTSKHSD17B10TRPA1PPARA
SCHEMBL4707517 0.81 PPARA (0.44) CTSSCTSKPTPN1SCN9ACYP3A4
SCHEMBL4177618 0.80 CTSS (0.46) S1PR3CTSSCTSKPTPN1PPARA
SCHEMBL4179051 0.79 PPARA (0.40) CTSSCTSKTRPA1PPARAPPARG
Lithium Ion SCHEMBL23200770 0.77 S1PR3 (0.42) S1PR3CTSSCTSKPTPN1TRPM8
Acetone SCHEMBL2678521 0.76 CTSK (0.49) CTSSCTSKMAPTPPARAPPARG
SCHEMBL7087412 0.75 CTSK (0.51) CTSSCTSKMAPTPPARAPPARG

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1887360-B1 TEST METHOD FOR ENDOTOXIN DAIICHI SANKYO CO LTD (JP) 2015-04-08 EP claimed
US-7410980-B2 Crystals of taxane derivative and process for their production DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US claimed
EP-1457492-B1 CRYSTALS OF TAXANE DERIVATIVE AND PROCESS FOR THEIR PRODUCTION DAIICHI SANKYO CO LTD (JP) 2008-01-02 EP claimed
EP-1457492-A1 CRYSTALS OF TAXANE DERIVATIVE AND PROCESS FOR THEIR PRODUCTION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP claimed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-7456302-B2 (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-Acetoxy-2-benzoyloxy-5,20-epoxy-1,13-dihydroxy-9,10-[(1S)-2-propenylidenedioxy]tax-6,11-diene; antitumor compounds; using low toxic and inexpensive materials; product is readily purified; industrial production DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-11-25 US disclosed
EP-1221445-B1 PENTACYCLIC TAXANE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2008-08-20 EP disclosed
US-7410980-B2 Crystals of taxane derivative and process for their production DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
US-7410980-B2 Crystals of taxane derivative and process for their production DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP disclosed
EP-1457492-B1 CRYSTALS OF TAXANE DERIVATIVE AND PROCESS FOR THEIR PRODUCTION DAIICHI SANKYO CO LTD (JP) 2008-01-02 EP disclosed
US-20070167630-A1 Method for producing pentacyclic taxans DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-07-19 US disclosed
US-20050070579-A1 Crystals of taxane derivative and process for their production DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-03-31 US disclosed
US-20050070579-A1 Crystals of taxane derivative and process for their production DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-03-31 US disclosed
EP-1457492-A1 CRYSTALS OF TAXANE DERIVATIVE AND PROCESS FOR THEIR PRODUCTION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
EP-1457492-A1 CRYSTALS OF TAXANE DERIVATIVE AND PROCESS FOR THEIR PRODUCTION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
US-6677456-B2 AS ANTITUMOR COMPOUND; CAN BE ORALLY ADMINISTERED DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US disclosed
WO-2003045953-A1 CRYSTALS OF TAXANE DERIVATIVE AND PROCESS FOR THEIR PRODUCTION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
US-20020143178-A1 Pentacyclic taxan compound DAIICHI PHARMACEUTICAL CO., LTD. 2002-10-03 US disclosed
EP-1221445-A1 PENTACYCLIC TAXANE COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP 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-20050070579-A1 Crystals of taxane derivative and process for their production TERT, NT5C, TXLNA S1PR3 1216/4885CTSS 4536/4885CTSK 4309/4885
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 S1PR3 3187/4885CTSS 4449/4885CTSK 4401/4885
US-20070167630-A1 Method for producing pentacyclic taxans DPYD, NCL, FOLR1 S1PR3 1224/4885CTSS 3401/4885CTSK 2556/4885
US-20020143178-A1 Pentacyclic taxan compound TUBB6, TUBB1, TUBA1A S1PR3 106/4885CTSS 3840/4885CTSK 3228/4885

“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.