SCHEMBL13314730

SCHEMBL13314730

CC(C)OCc1cncs1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC6A3 Q01959 8/20 0.39
LMNA P02545 1/20 0.38
ACACB O00763 2/20 0.38
CYP3A4 P08684 2/20 0.36
HTT P42858 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL272571 0.77
SCHEMBL17589058 0.77 RAB9A (0.40) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL14162629 0.74 RAB9A (0.54) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL272570 0.74
SCHEMBL15241323 0.72
SCHEMBL3052817 0.72
SCHEMBL5962368 0.72
SCHEMBL14451325 0.72
SCHEMBL13327032 0.72 RAB9A (0.41) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL24924285 0.69

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081748-A2 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-04-18 WO disclosed
US-11529343-B2 Compositions and methods for identifying and treating dystonia disorders DUKE UNIVERSITY (US) 2022-12-20 US disclosed
EP-3433243-B1 NOVEL DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 INST NAT SANTE RECH MED (FR) 2021-09-08 EP disclosed
US-20210069175-A1 Compositions and Methods for Identifying and Treating Dystonia Disorders DUKE UNIVERSITY (US) 2021-03-11 US disclosed
US-20190100508-A1 NOVEL DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIVERSITÉ PARIS CITÉ (FR) 2019-04-04 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-9795608-B2 Protein kinase inhibitors PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-9447102-B2 Protein kinase inhibitors PHARMASCIENCE, INC. (CA) 2016-09-20 US disclosed
US-20150344478-A1 PROTEIN KINASE INHIBITORS GB005, INC. 2015-12-03 US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 US disclosed
US-7741345-B2 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. (US) 2010-06-22 US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 US disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 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 (9 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-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME RAB9A 1820/4885NPC1 406/4885SMN1; SMN2 2343/4885
US-11529343-B2 Compositions and methods for identifying and treating dystonia disorders DDHD2, SMN1; SMN2, MYO3B RAB9A 1832/4885NPC1 3741/4885SMN1; SMN2 2/4885
US-20150344478-A1 PROTEIN KINASE INHIBITORS TEC, BTK, LCK RAB9A 2258/4885NPC1 3512/4885SMN1; SMN2 4455/4885
US-20190100508-A1 NOVEL DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 RAB9A 4045/4885NPC1 2970/4885SMN1; SMN2 3481/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 RAB9A 1576/4885NPC1 161/4885SMN1; SMN2 492/4885
US-20210069175-A1 Compositions and Methods for Identifying and Treating Dystonia Disorders DDHD2, SMN1; SMN2, MYO3B RAB9A 1832/4885NPC1 3741/4885SMN1; SMN2 2/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD RAB9A 1497/4885NPC1 1414/4885SMN1; SMN2 2815/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 RAB9A 1786/4885NPC1 375/4885SMN1; SMN2 2337/4885
US-20150191473-A1 PROTEIN KINASE INHIBITORS TEC, SRC, LCK RAB9A 2243/4885NPC1 4039/4885SMN1; SMN2 4706/4885

“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.