SCHEMBL2472067

SCHEMBL2472067

CCC(O)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
CTRB1 P17538 2/20 0.56
ATM Q13315 1/20 0.56
CTSK P43235 4/20 0.55
CTSL P07711 4/20 0.55
CTSS P25774 4/20 0.55
CTSB P07858 2/20 0.55
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
ELANE P08246 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL6054417 1.00 SYK (0.56) SYKCTRB1ATMCTSKCTSL
SCHEMBL12220545 0.85 SYK (0.69) SYKCTRB1ATMCTSKCTSL
SCHEMBL21333945 0.85 CTSL (0.62) CTRB1ATMCTSKCTSLCTSS
SCHEMBL20820039 0.84 CASP1 (0.58) CTRB1ATMCTSLCTSS
SCHEMBL13572927 0.84 ATM (0.59) SYKCTRB1ATMCTSKCTSL
SCHEMBL14999596 0.84 ATM (0.59) SYKCTRB1ATMCTSKCTSL
SCHEMBL6407665 0.84 ATM (0.59) SYKCTRB1ATMCTSKCTSL
SCHEMBL5973119 0.84 CTSL (0.58) CTSKCTSLCTSS
SCHEMBL2059541 0.83 ATM (0.62) CTRB1ATMCTSKCTSLCTSS
SCHEMBL14561268 0.83 ATM (0.56) SYKCTRB1ATMCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
CN-106414473-B Polyene macrolide derivatives 盐野义制药株式会社 2020-03-13 CN disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed
US-9310366-B2 Anthrax carbohydrates, synthesis and uses thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-04-12 US disclosed
US-20130260402-A1 ANTHRAX CARBOHYDRATES, SYNTHESIS AND USES THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (WASHINGTON D.C.) 2013-10-03 US disclosed
US-8420607-B2 Anthrax carbohydrates, synthesis and uses thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-04-16 US disclosed
EP-2044194-B1 ANTHRAX CARBOHYDRATES, SYNTHESIS AND USES THEREOF UNIV GEORGIA (US) 2011-10-05 EP disclosed
EP-0850244-A1 TOXOPLASMA GONDII GLYCOCONJUGATES Akzo Nobel N.V. (NL) 1998-07-01 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 WO disclosed
WO-1997010249-A1 TOXOPLASMA GONDII GLYCOCONJUGATES AKZO NOBEL N.V. (NL) 1997-03-20 WO disclosed
US-5608045-A DISODIUM SALT BY POT REACTING RHAMNOSE TRIACETATE WITH PHENYL DICHLOROPHOSPHATE IN PRESENCE OF TRIETHYLAMINE AND WITH /S/LEU-/S/TRP-OET IN SOLVENT, SAPONIFYING SEPARATED PRODUCT WITH ETHANOLIC BASE IN COLD, EVAPORATING ETHANOL ADIR ET COMPAGNIE (FR) 1997-03-04 US disclosed
US-5591728-A ENZYME INHIBITORS WITH AMIDE AND ESTER GROUPS ADIR ET COMPAGNIE (FR) 1997-01-07 US disclosed
US-5481030-A USED AS AN ENDOTHELIN CONVERTASE INHIBITOR ADIR ET COMPAGNIE (FR) 1996-01-02 US disclosed
EP-0680988-A2 Carbamate compounds and coating compositions comprising same CYTEC TECHNOLOGY CORP. (US) 1995-11-08 EP disclosed
EP-0639586-A1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 1995-02-22 EP disclosed
EP-0152820-A2 Carbamate compounds, compositions and method of making the same CYTEC TECHNOLOGY CORP. (US) 1985-08-28 EP disclosed
US-4484994-A REACTING EPOXY RESIN WITH AMINES HAVING SECONDARY AMINE AND CARBAMATE GROUPS AMERICAN CYANAMID COMPANY (US) 1984-11-27 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 (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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 SYK 3755/4885CTRB1 636/4885ATM 4287/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 SYK 3755/4885CTRB1 636/4885ATM 4287/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 SYK 3755/4885CTRB1 636/4885ATM 4287/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 SYK 3755/4885CTRB1 636/4885ATM 4287/4885

“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.