SCHEMBL483292

SCHEMBL483292

CCOC(=O)c1cnc2ccsc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPK10 P53779 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL4904367 0.85 KMT2A (0.48) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL14399296 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL13229696 0.79 MEN1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10474018 0.79 TP53 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTPKM
SCHEMBL6368861 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL6289493 0.78 LMNA (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9837120 0.78 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL30916871 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL4543435 0.77 GPR35 (0.41) ALDH1A1KDM4EHPGDRECQLMAPT
SCHEMBL9182646 0.76 MEN1 (0.43) ALDH1A1KDM4EHPGDHSD17B10RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7010880-A None JP disclosed
EP-2170901-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2015-07-01 EP disclosed
US-20140235668-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235668-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235668-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-8710075-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-29 US disclosed
US-8604030-B2 Fused piperidine compound and pharmaceutical containing same KOWA COMPANY, LTD. (JP) 2013-12-10 US disclosed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
US-20130231364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-05 US disclosed
US-20020143030-A1 TREATMENT OF GASTROPARESIS IN CERTAIN PATIENT GROUPS R.T. ALAMO VENTURES I, L.L.C, 2002-10-03 US disclosed
US-20020143031-A1 Treatment of cardiovascular disease with quinolinone enantiomers R.T. ALAMO VENTURES I, L.L.C. 2002-10-03 US disclosed
US-6458804-B1 UTILIZATION OF PHARMACEUTICAL COMPOSITIONS COMPRISING QUINOLINONES (AND DERIVATIVES THEREOF) IN PATIENTS WITH SYMPTOMS OF A CENTRAL NERVOUS SYSTEM DISORDER WHO ARE OTHERWISE FREE OF CARDIAC DISEASE AND/OR WHO HAVE NOT BEEN R.T. ALAMO VENTURESI, LLC 2002-10-01 US disclosed
US-6451813-B1 Treatment of gastroparesis in certain patient groups R. T. ALAMO VENTURES I, LLC 2002-09-17 US disclosed
US-5468750-A Antiinflammatory agents and autoimmune diseases ELF SANOFI (FR) 1995-11-21 US disclosed
JP-H0710880-A PRODUCTION OF THIENO(2,3-B)PYRIMIDINE DERIVATIVE MITSUBISHI CHEM CORP 1995-01-13 JP disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 US disclosed
EP-0269295-B1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1991-06-26 EP disclosed
US-4877793-A CARDIOVASCULAR DISORDERS THE BOOTS COMPANY, PLC (GB) 1989-10-31 US disclosed
EP-0269295-A1 Therapeutic agents The Boots Company PLC (GB) 1988-06-01 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-20140235668-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI CFTR, ABCB1, ABCC1 ALDH1A1 4065/4885KDM4E 3850/4885HPGD 1808/4885
US-20020143031-A1 Treatment of cardiovascular disease with quinolinone enantiomers TNNT2, TNNI3, NOS3 ALDH1A1 392/4885KDM4E 871/4885HPGD 204/4885
US-20020143030-A1 TREATMENT OF GASTROPARESIS IN CERTAIN PATIENT GROUPS FABP6, SLC10A2, FABP2 ALDH1A1 1961/4885KDM4E 4676/4885HPGD 25/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ALDH1A1 199/4885KDM4E 2007/4885HPGD 487/4885
US-20130231364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 ALDH1A1 3001/4885KDM4E 4285/4885HPGD 1288/4885

“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.