SCHEMBL7935343

SCHEMBL7935343

Cc1ccc(COC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.54
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
IDO1 P14902 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAOB P27338 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 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
SCHEMBL648537 0.90 AGXT (0.39) AGXTIDO1TSHR
SCHEMBL19638101 0.83 AGXT (0.41) AGXTIDO1
SCHEMBL21132545 0.81 AGXT (0.45) AGXTCA1CA2CA9IDO1
SCHEMBL2452819 0.81 ESR1 (0.54) CA2IDO1TSHRHPGD
SCHEMBL3424235 0.80 AGXT (0.48) AGXTCA1CA2CA9IDO1
SCHEMBL19354411 0.79 APP (0.35) AGXTIDO1
SCHEMBL22385098 0.79 AGXT (0.32) AGXTIDO1
SCHEMBL18773888 0.79 AGXT (0.32) AGXTIDO1
SCHEMBL1691492 0.79 APP (0.52) KCNH2NPC1RAB9ATSHRACHE
SCHEMBL8103605 0.79 IDO1 (0.52) AGXTIDO1MAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT ONECUREGEN CO., LTD. (KR) 2023-07-13 US disclosed
US-20210061773-A1 COMPOUND AND USE THEREOF IN MEDICINE CHANGSHA HOOZ BIOSCIENCE AND TECHNOLOGY CO., LTD (CN) 2021-03-04 US disclosed
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer VANDERBILT UNIVERSITY (US) 2020-10-06 US disclosed
US-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES UNIVERSITY OF SOUTHERN CALIFORNIA 2020-05-21 US disclosed
US-20200095190-A1 Glutamine Transport Inhibitors and Methods for Treating Cancer VANDERBILT UNIVERSITY 2020-03-26 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed
US-20140243328-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-28 US disclosed
US-8759344-B2 Imidazopyridine derivatives, process for preparation thereof and therapeutic use thereof SANOFI (FR) 2014-06-24 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 US disclosed
US-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 US disclosed
EP-2105795-A1 Resin composition for laser engraving, image forming material, relief printing plate precursor for laser engraving, relief printing plate, and method of manufacturing relief printing plate FUJIFILM Corporation (JP) 2009-09-30 EP disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-6201156-B1 REACTING AN ETHER WITH NITROGEN MONOXIDE IN THE PRESENCE OF A CATALYST BEING COMPOSED OF AN IMIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-13 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 (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-20140243328-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH AGXT 3826/4885CA1 3895/4885CA2 2127/4885
US-20200095190-A1 Glutamine Transport Inhibitors and Methods for Treating Cancer SLC1A5, SLC7A11, SLC3A2 AGXT 134/4885CA1 3318/4885CA2 1035/4885
US-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES NAMPT, NNT, NNMT AGXT 1381/4885CA1 4603/4885CA2 4500/4885
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH AGXT 3826/4885CA1 3895/4885CA2 2127/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 AGXT 2465/4885CA1 764/4885CA2 1878/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 AGXT 3264/4885CA1 767/4885CA2 2070/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 AGXT 3379/4885CA1 3704/4885CA2 3029/4885
US-20210061773-A1 COMPOUND AND USE THEREOF IN MEDICINE HDAC1, HDAC11, HDAC10 AGXT 4090/4885CA1 3774/4885CA2 4470/4885
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK AGXT 2844/4885CA1 4049/4885CA2 4408/4885
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer SLC1A5, SLC7A11, SLC3A2 AGXT 134/4885CA1 3318/4885CA2 1035/4885
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT AK2, CS, GOT2 AGXT 3384/4885CA1 1772/4885CA2 528/4885

“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.