SCHEMBL3931748

SCHEMBL3931748

CCOC(=O)CO[Si](CC)(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
ALOX15 P16050 1/20 0.44
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
SOAT1 P35610 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 2/20 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
SCHEMBL10012033 0.83 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1227376 0.79 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3080890 0.78
SCHEMBL15164100 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15164019 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15164020 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15956041 0.77 TDP1 (0.33) ALOX15
SCHEMBL6220404 0.74 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2682415 0.74 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9694127 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309159-B1 CRYSTAL OF 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2020-11-25 EP disclosed
US-10138240-B2 Crystal of 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-11-27 US disclosed
US-20180170926-A1 CRYSTAL OF 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-06-21 US disclosed
EP-3309159-A1 CRYSTAL OF 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-18 EP disclosed
EP-3081566-B1 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-03-07 EP disclosed
US-9796709-B2 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-24 US disclosed
US-20160376267-A1 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-29 US disclosed
EP-3081566-A1 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2016-10-19 EP disclosed
US-7541458-B2 β-lactam synthesis FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 US disclosed
EP-1888522-A2 ß-LACTAM SYNTHESIS Florida State University Research Foundation, Inc. (US) 2008-02-20 EP disclosed
WO-1994017050-A1 C7 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1994-08-04 WO disclosed
WO-1994015599-A1 C10 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FLORIDA STATE UNIVERSITY (US) 1994-07-21 WO disclosed
EP-0605637-A1 PREPARATION OF SUBSTITUTED ISOSERINE ESTERS USING METAL ALKOXIDES AND $g(b)-LACTAMS FLORIDA STATE UNIVERSITY (US) 1994-07-13 EP disclosed
EP-0605638-A1 METAL ALKOXIDES FLORIDA STATE UNIVERSITY (US) 1994-07-13 EP disclosed
WO-1994010996-A1 BUTENYL-SUBSTITUTED TAXANES AND COMPOSITION FLORIDA STATE UNIVERSITY (US) 1994-05-26 WO disclosed
WO-1994010997-A1 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1994-05-26 WO disclosed
US-5274124-A Metal alkoxides FLORIDA STATE UNIVERSITY (US) 1993-12-28 US disclosed
US-5229526-A METAL ALKOXIDES FLORIDA STATE UNIVERSITY (US) 1993-07-20 US disclosed
WO-1993006079-A1 PREPARATION OF SUBSTITUTED ISOSERINE ESTERS USING METAL ALKOXIDES AND β-LACTAMS FLORIDA STATE UNIVERSITY (US) 1993-04-01 WO disclosed
WO-1993006094-A1 METAL ALKOXIDES FLORIDA STATE UNIVERSITY (US) 1993-04-01 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-20160376267-A1 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE LDLR, LCAT, LPL GAA 517/4885MGAM 2696/4885SI 1676/4885
US-20180170926-A1 CRYSTAL OF 5-HYDROXY-4-(TRIFLUOROMETHYL)PYRAZOLOPYRIDINE DERIVATIVE LDLR, LCAT, LPL GAA 1036/4885MGAM 3042/4885SI 2042/4885
US-10138240-B2 Crystal of 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative LDLR, LCAT, LPL GAA 1036/4885MGAM 3042/4885SI 2042/4885

“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.