SCHEMBL2220646

SCHEMBL2220646

CSCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
GSK3B P49841 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
HSD11B1 P28845 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50

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
SCHEMBL9787087 0.83 GSK3B (0.61) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL10418143 0.81 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL8427290 0.79 TPMT (0.46) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL10418650 0.79 HDAC1 (0.70) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL7806272 0.79 NPC1 (0.55) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL10876907 0.79 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL6745410 0.79 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL6320924 0.78 ALDH1A1 (0.61) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL879474 0.78 ALDH1A1 (0.61) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL2549394 0.78 ALDH1A1 (0.63) HDAC3HDAC1HDAC2HDAC6GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086801-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
US-8461184-B2 Sulphur containing pyrazole derivatives as selective cannabinoid CB1 receptor antagonists SOLVAY PHARMACEUTICALS B.V. (NL) 2013-06-11 US disclosed
US-8309584-B2 Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists GREEN CROSS CORPORATION (KR) 2012-11-13 US disclosed
US-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20100292204-A1 SULPHUR CONTAINING PYRAZOLE DERIVATIVES AS SELECTIVE CANNABINOID CB1 RECEPTOR ANTAGONISTS SOLVAY PHARMACEUTICALS, B.V. 2010-11-18 US disclosed
US-7786144-B2 Sulphur containing pyrazole derivatives as selective cannabinoid CB1 receptor antagonists SOLVAY PHARMACEUTICALS B.V. (NL) 2010-08-31 US disclosed
WO-2010035915-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2010-04-01 WO disclosed
EP-2029548-A1 SULPHUR CONTAINING PYRAZOLE DERIVATIVES AS SELECTIVE CANNABINOID CB1 RECEPTOR ANTAGONISTS Solvay Pharmaceuticals B.V. (NL) 2009-03-04 EP disclosed
WO-2007138050-A1 SULPHUR CONTAINING PYRAZOLE DERIVATIVES AS SELECTIVE CANNABINOID CB1 RECEPTOR ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-12-06 WO disclosed
US-20070281973-A1 SULPHUR CONTAINING PYRAZOLE DERIVATIVES AS SELECTIVE CANNABINOID CB1 RECEPTOR ANTAGONISTS ABBVIE B.V. (NL) 2007-12-06 US disclosed
EP-1125931-A1 Biocidal alkyl-substituted-(hetero)aryl-ketoxime-O-ethers and the production method thereof Hunan Research Institute of Chemical Industry (CN) 2001-08-22 EP disclosed
US-6013839-A REACTING A 2,4-DIHALOACETOPHENONE WITH A THIOLATING AGENT UNDER ANHYDROUS CONDITIONS; EFFICIENCY; INTERMEDIATES OF HERBICIDES E.G., BENZAMIDE DERIVATIVES RHONE-POULENC AGRICULTURE LIMITED (GB) 2000-01-11 US disclosed
EP-0883605-A1 PROCESS FOR PREPARING 2-(THIOSUBSTITUTED)-4-HALOACETOPHENONES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-12-16 EP disclosed
US-5798311-A INSECTICIDES ROHM AND HAAS COMPANY (US) 1998-08-25 US disclosed
WO-1997030026-A1 PROCESS FOR PREPARING 2-(THIOSUBSTITUTED)-4-HALOACETOPHENONES RHONE-POULENC AGRICULTURE LIMITED (GB) 1997-08-21 WO disclosed
EP-0466408-A1 N-aryl-3-aryl-4-substituted-4,5-dihydro-1H-pyrazole-1-carboxamides and processes for their production ROHM AND HAAS COMPANY (US) 1992-01-15 EP disclosed
US-4971979-A Antiinflammatory agents RHONE-POULENC SANTE (FR) 1990-11-20 US disclosed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 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 (3 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-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, GPR119 HDAC3 245/4885HDAC1 548/4885HDAC2 1186/4885
US-20100292204-A1 SULPHUR CONTAINING PYRAZOLE DERIVATIVES AS SELECTIVE CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, CBR1 HDAC3 997/4885HDAC1 1451/4885HDAC2 1527/4885
US-20070281973-A1 SULPHUR CONTAINING PYRAZOLE DERIVATIVES AS SELECTIVE CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, CBR1 HDAC3 997/4885HDAC1 1451/4885HDAC2 1527/4885

“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.