SCHEMBL4660182

SCHEMBL4660182

CCCCCCCCSC(=O)Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
CES2 O00748 6/20 0.48
TP53 P04637 2/20 0.48
GMNN O75496 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
BLM P54132 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACHE P22303 3/20 0.44
EPHX1 P07099 1/20 0.44
CES1 P23141 7/20 0.42
FAAH O00519 4/20 0.42
PLA2G6 O60733 1/20 0.42
GPR84 Q9NQS5 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41

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
SCHEMBL29114294 1.00 TDP1 (0.65) TDP1ALDH1A1TSHRCES2TP53
SCHEMBL11847300 1.00 TDP1 (0.65) TDP1ALDH1A1TSHRCES2TP53
SCHEMBL11835401 1.00 TDP1 (0.65) TDP1ALDH1A1TSHRCES2TP53
SCHEMBL1532349 0.98
SCHEMBL1865029 0.90
SCHEMBL9504312 0.83 CES2 (0.50) TDP1ALDH1A1TSHRCES2TP53
SCHEMBL11441143 0.83 CES2 (0.50) TDP1ALDH1A1TSHRCES2TP53
SCHEMBL7804794 0.83 CES2 (0.50) TDP1ALDH1A1TSHRCES2TP53
SCHEMBL3683268 0.83 CES2 (0.50) TDP1ALDH1A1TSHRCES2TP53
Methane SCHEMBL3725723 0.81 CES2 (0.48) TDP1ALDH1A1TSHRCES2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117832456-A Preparation method of rare earth doped amorphous carbon coated silicon-carbon composite material 云南坤天新能源有限公司 2024-04-05 CN claimed
CN-117832456-A Preparation method of rare earth doped amorphous carbon coated silicon-carbon composite material 云南坤天新能源有限公司 2024-04-05 CN disclosed
EP-1255742-B1 2-THIO-4H-3,1-BENZOXAZIN-4-ONE DERIVATIVES FOR USE AS ENZYME INHIBITORS ALIZYME THERAPEUTICS LTD (GB) 2008-12-17 EP disclosed
EP-1255742-B1 2-THIO-4H-3,1-BENZOXAZIN-4-ONE DERIVATIVES FOR USE AS ENZYME INHIBITORS ALIZYME THERAPEUTICS LTD (GB) 2008-12-17 EP disclosed
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
US-6916808-B2 2-thio-4h-3, 1-benzoxazin-4-one derivatives for use as enzyme inhibitors ALIZYME THERAPEUTICS LIMITED (GB) 2005-07-12 US disclosed
EP-1026988-A4 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA INC (US) 2005-03-30 EP disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
US-6759207-B2 REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER CYTOVIA, INC. 2004-07-06 US disclosed
US-20030176429-A1 2-thio-4h-3,1-benzoxazin-4-one derivatives for use as enzyme inhibitors NORGINE B.V. (NL) 2003-09-18 US disclosed
WO-2001053278-A1 2-THIO-4H-3,1-BENZOXAZIN-4-ONE DERIVATIVES FOR USE AS ENZYME INHIBITORS ALIZYME THERAPEUTICS LIMITED (GB) 2001-07-26 WO disclosed
EP-1026988-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES Cytovia, Inc. (US) 2000-08-16 EP disclosed
WO-1999018856-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA, INC. (US) 1999-04-22 WO disclosed
US-5362708-A 6-Chloro-3-/p-fluorophenyl/pyridazin-4-yl S-octyl thiocarbonate AGROLINZ AGRARCHEMIKALIEN GMBH (AT) 1994-11-08 US disclosed
US-4820856-A Process for the production of alkyl thiochloroformates SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1989-04-11 US disclosed
EP-0068592-B1 NOVEL CARBAMATE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1984-10-17 EP disclosed
US-4443473-A ANALGESICS, ANTIALLERGENS THE PROCTER & GAMBLE COMPANY (US) 1984-04-17 US disclosed
US-4400329-A Process for the manufacture of thiochlorformates SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1983-08-23 US disclosed
EP-0068592-A1 Novel carbamate derivatives THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed
US-3975538-A O-ALKOXYCARBONYL-2-ALKOXY-1-NAPHTHOHYDROXAMATES TAKEDA CHEMICAL INDUSTRIES, INC. (JA) 1976-08-17 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 (1 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-20030176429-A1 2-thio-4h-3,1-benzoxazin-4-one derivatives for use as enzyme inhibitors CYP4X1, CES1, CYP4B1 TDP1 860/4885ALDH1A1 102/4885TSHR 851/4885

“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.