SCHEMBL2158306

SCHEMBL2158306

O=[N+]([O-])c1cc(C(F)(F)F)ccc1S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HIF1A Q16665 1/20 0.56
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPK1 P28482 2/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL29733584 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL29942185 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL7240751 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL27803910 0.83 MAPK1 (0.49) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL6515340 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL6512422 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
Zinc Ion SCHEMBL6523844 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL6523841 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL6512418 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL6512415 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12064239-B2 Device and methods for detection and monitoring of tuberculosis TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-08-20 US claimed
US-20240044832-A1 METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) 2024-02-08 US claimed
EP-4264260-A1 METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-10-25 EP claimed
US-20230152319-A1 DEVICE AND METHOD FOR RAPID DETECTION OF VIRUSES NANOSE MEDICAL LTD (IL) 2023-05-18 US claimed
EP-4139676-A1 DEVICE AND METHOD FOR RAPID DETECTION OF VIRUSES Technion Research and Development Foundation Ltd. (IL) 2023-03-01 EP claimed
WO-2022137232-A1 METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) 2022-06-30 WO claimed
WO-2021214763-A1 DEVICE AND METHOD FOR RAPID DETECTION OF VIRUSES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2021-10-28 WO claimed
US-20210282678-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-09-16 US claimed
EP-3602044-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS Technion Research & Development Foundation Limited (IL) 2020-02-05 EP claimed
WO-2018173060-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2018-09-27 WO claimed
US-9528979-B2 Breath analysis of pulmonary nodules TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2016-12-27 US claimed
US-20130150261-A1 BREATH ANALYSIS OF PULMONARY NODULES TEL HASHOMER MEDICAL RESEARCH, INFRASTRUCTURE AND SERVICES LTD. (IL) 2013-06-13 US claimed
CN-121824374-A Preparation method and application of 2-amino-4-trifluoromethylthiophenol 山东达因海洋生物制药股份有限公司 2026-04-10 CN disclosed
EP-3874259-B1 CHEMICALLY SENSITIVE SENSOR COMPRISING MICRO-BARRIER AND METHOD OF FABRICATION THEREOF TECHNION RES & DEV FOUNDATION (IL) 2025-04-09 EP disclosed
US-12196699-B2 Chemically sensitive sensor comprising micro-barrier and method of fabrication thereof TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2025-01-14 US disclosed
EP-4164481-B1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH NANOSE MEDICAL LTD (IL) 2024-10-16 EP disclosed
WO-1997017325-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS FARMAK A.S. (CZ) 1997-05-15 WO disclosed
US-5451681-A Reduction, cyclization ZENECA LIMITED (GB) 1995-09-19 US disclosed
WO-1995019352-A2 PROCESS FOR THE PREPARATION OF 2-(4,4-DIFLUORO-BUT-3-ENYLTHIO)-BENZ-THIAZOLES AND -BENZOXAZOLES ZENECA LIMITED (GB) 1995-07-20 WO disclosed
US-5187189-A S-aminoalkyl-s-arylsulfoximines as antiarrhythmic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 US disclosed