SCHEMBL1345378

SCHEMBL1345378

C=CCOC(=O)N=NC(=O)OCC=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TSHR P16473 6/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SNCA P37840 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.32
RHOA P61586 1/20 0.32
TP53 P04637 3/20 0.31
HIF1A Q16665 2/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL527276 1.00 CYP3A4 (0.43) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9331939 0.91 CYP3A4 (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL527277 0.91 CYP3A4 (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL729015 0.84 CYP3A4 (0.43) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL19033480 0.82
SCHEMBL10940301 0.82
SCHEMBL9191412 0.80
SCHEMBL4033322 0.78 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9242763 0.78 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL11434609 0.77 CYP3A4 (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206695-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B The Board of Trustees of the University of Illionis (US) 2017-08-23 EP claimed
US-20170233427-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-08-17 US claimed
WO-2016061437-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-04-21 WO claimed
US-10683318-B2 Scalable synthesis of reduced toxicity derivative of amphotericin B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-06-16 US disclosed
US-20190127412-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-05-02 US disclosed
US-10087206-B2 Scalable synthesis of reduced toxicity derivative of amphotericin B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-10-02 US disclosed
EP-3206695-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B The Board of Trustees of the University of Illionis (US) 2017-08-23 EP disclosed
US-20170233427-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-08-17 US disclosed
WO-2016061437-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-04-21 WO disclosed
EP-2890693-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
WO-1997036865-A1 PROCESS FOR PRODUCING INTERMEDIATE COMPOUNDS FOR THE PRODUCTION OF FACTOR Xa INHIBITORS BOEHRINGER MANNHEIM GMBH (DE) 1997-10-09 WO disclosed
US-5254681-A Process for preparing monobactames and their intermediate product CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1993-10-19 US disclosed
EP-0411541-A2 Process for preparing monobactames and their intermediate product CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1991-02-06 EP disclosed
EP-0124216-B1 C-20- AND C-23-MODIFIED MACROLIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed
EP-0104028-B1 C-20-MODIFIED MACROLIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1988-08-03 EP disclosed
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 US disclosed
EP-0124216-A1 C-20- and C-23-modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-11-07 EP disclosed
EP-0104028-A1 C-20-modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-03-28 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 (5 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-10683318-B2 Scalable synthesis of reduced toxicity derivative of amphotericin B ERG28, MANBA, CYP51A1 CYP3A4 271/4885TSHR 4044/4885MAPT 3837/4885
US-20170233427-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B ERG28, MANBA, CYP51A1 CYP3A4 271/4885TSHR 4044/4885MAPT 3837/4885
US-10087206-B2 Scalable synthesis of reduced toxicity derivative of amphotericin B ERG28, MANBA, CYP51A1 CYP3A4 271/4885TSHR 4044/4885MAPT 3837/4885
US-20190127412-A1 SCALABLE SYNTHESIS OF REDUCED TOXICITY DERIVATIVE OF AMPHOTERICIN B ERG28, MANBA, CYP51A1 CYP3A4 271/4885TSHR 4044/4885MAPT 3837/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 CYP3A4 197/4885TSHR 3472/4885MAPT 4662/4885

“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.