SCHEMBL874455

SCHEMBL874455

Cc1csc(CC(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.54
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.40
HPSE Q9Y251 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
NOS1 P29475 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL1398189 0.84 ADAMTS5 (0.43) ADAMTS5RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL2090920 0.82 RAB9A (0.59) ADAMTS5RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL1398316 0.81 ADAMTS5 (0.42) ADAMTS5RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL11985535 0.79 ADAMTS5 (0.41) ADAMTS5RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL7381763 0.79 ADAMTS5 (0.44) ADAMTS5HSD17B10RAB9AALDH1A1L3MBTL1
SCHEMBL13208839 0.79 HSD17B10 (0.45) ADAMTS5HSD17B10RAB9AALDH1A1NPC1
SCHEMBL1398311 0.78 ADAMTS5 (0.40) ADAMTS5HSD17B10RAB9AALDH1A1L3MBTL1
SCHEMBL3440132 0.78 KDM4E (0.43) ADAMTS5RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL696137 0.78 MEN1 (0.51) HSD17B10ALDH1A1MAPTGAASMN1; SMN2
Bromide SCHEMBL7755487 0.78 RAB9A (0.50) ADAMTS5HSD17B10RAB9AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021132524-A1 EPOXY AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-07-01 WO disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
CN-101945581-B Herbicidal compounds SYNGENTA LTD 2015-01-07 CN disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
WO-2010118852-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 WO disclosed
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
US-4001241-A GASTRIC ACID, ANTISECRETORY AGENTS SMITHKLINE CORPORATION (US) 1977-01-04 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 (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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ADAMTS5 1603/4885GABRA5 436/4885GABRB2 1511/4885
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 ADAMTS5 4685/4885GABRA5 664/4885GABRB2 1290/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ADAMTS5 4849/4885GABRA5 1115/4885GABRB2 1722/4885
US-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 ADAMTS5 239/4885GABRA5 2030/4885GABRB2 1850/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ADAMTS5 1603/4885GABRA5 436/4885GABRB2 1511/4885

“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.