SCHEMBL6676589

SCHEMBL6676589

CC(C)OCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPA1 O75762 1/20 0.44
MAOB P27338 9/20 0.42
APP P05067 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAOA P21397 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39

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
SCHEMBL649272 0.88 IDO1 (0.44) IDO1AGXTTAAR1
SCHEMBL8781581 0.83 IDO1 (0.54) IDO1AGXTTRPA1MAOBAPP
SCHEMBL21587147 0.83 IDO1 (0.48) IDO1AGXTLMNAKMT2ATRPA1
SCHEMBL7284728 0.83 IDO1 (0.48) IDO1AGXTTRPA1MAOBAPP
SCHEMBL2308449 0.83 IDO1 (0.48) IDO1AGXTKMT2ATRPA1MAOB
SCHEMBL1337524 0.81 IDO1 (0.41) IDO1AGXTMAOB
SCHEMBL23634056 0.81 IDO1 (0.47) IDO1AGXTLMNATRPA1MAOB
SCHEMBL19598855 0.79 IDO1 (0.45) IDO1AGXTLMNAKMT2ATRPA1
SCHEMBL5728580 0.79 IDO1 (0.50) IDO1AGXTTRPA1MAOBAPP
SCHEMBL1927583 0.79 IDO1 (0.50) IDO1AGXTTRPA1MAOBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
WO-2021146629-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2021-07-22 WO disclosed
US-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-13 US disclosed
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
US-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 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 (11 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 IDO1 81/4885AGXT 1806/4885LMNA 1842/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL IDO1 1285/4885AGXT 328/4885LMNA 1922/4885
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use GCGR, GLP1R, GPR119 IDO1 4014/4885AGXT 621/4885LMNA 2268/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 IDO1 2671/4885AGXT 745/4885LMNA 2067/4885
US-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX IDO1 360/4885AGXT 526/4885LMNA 137/4885
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 IDO1 3681/4885AGXT 4873/4885LMNA 2662/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 IDO1 2160/4885AGXT 2973/4885LMNA 4458/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 IDO1 2671/4885AGXT 745/4885LMNA 2067/4885
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE IDO1 2887/4885AGXT 3081/4885LMNA 2808/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 IDO1 2671/4885AGXT 745/4885LMNA 2067/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 IDO1 1044/4885AGXT 3829/4885LMNA 4760/4885

“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.