SCHEMBL1628046

SCHEMBL1628046

CCCCCCCCCCCCCC(CCCCCCCCCCCC)[N+](C)(C)[O-]

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.48
LMNA P02545 1/20 0.41
DNM1 Q05193 9/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC22A1 O15245 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
SCHEMBL7875884 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL27698367 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL31080991 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL230952 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL2009107 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL8668755 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL4410050 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL10360428 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL11348771 1.00 LSS (0.48) LSSLMNADNM1TSHRTHRB
SCHEMBL10407594 0.98 LSS (0.46) LSSLMNADNM1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820843-B1 Acidic cleaning concentrate for cleaning smooth, non-horizontal surfaces WITTY CHEMIE GMBH & CO KG (DE) 2014-05-28 EP claimed
US-20230190719-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE BIOHAVEN THERAPEUTICS LTD (US) 2023-06-22 US disclosed
US-11648188-B1 Aerosol sprayable color composition AMERICAN SPRAYTECH, L.L.C. (US) 2023-05-16 US disclosed
EP-4168116-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE Biohaven Therapeutics Ltd. (US) 2023-04-26 EP disclosed
US-11389536-B2 Treatment of cancer with a combination of radiation, cerium oxide nanoparticles, and a chemotherapeutic agent BioCurity Pharmaceuticals Inc. (US) 2022-07-19 US disclosed
WO-2021262779-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE BIOHAVEN THERAPEUTICS LTD. (US) 2021-12-30 WO disclosed
US-11185544-B2 Formulations of 4-methyl-5-(pyrazin-2-yl)-3H-l,2-dithiole-3-thione, taste-modified formulations, and methods of making and using same ST IP HOLDING AG (CH) 2021-11-30 US disclosed
EP-3171879-B1 PREVENTING AND TREATING INFLAMMATORY SKIN DISEASES TEL HASHOMER MEDICAL RES INFRASTRUCTURE & SERVICES LTD (IL) 2021-06-23 EP disclosed
US-20210052580-A1 Combination Compositions and Therapies Comprising 4-Methyl-5-(Pyrazin-2-yl)-3H-1,2-Dithiole-3-Thione, and Methods of Making and Using Same ZPNE GROUP GMBH (CH) 2021-02-25 US disclosed
EP-3762104-A2 COMBINATION COMPOSITIONS AND THERAPIES COMPRISING 4-METHYL-5-(PYRAZIN-2-YL)-3H-1,2-DITHIOLE-3-THIONE, AND METHODS OF MAKING AND USING SAME ST IP Holding AG (CH) 2021-01-13 EP disclosed
EP-0280445-A1 Pitch control aid W.R. Grace & Co.-Conn. (US) 1988-08-31 EP disclosed
EP-0238635-A4 NONIONIC FINE FABRIC DETERGENT COMPOSITION. STALEY MFG CO A E (US) 1988-01-07 EP disclosed
EP-0238635-A1 NONIONIC FINE FABRIC DETERGENT COMPOSITION. STALEY MFG CO A E (US) 1987-09-30 EP disclosed
WO-1987002051-A1 NONIONIC FINE FABRIC DETERGENT COMPOSITION A. E. STALEY MANUFACTURING COMPANY (US) 1987-04-09 WO disclosed
US-4606850-A GLYCOSIDE, AMINE OXIDE AND QUATERNARY AMMONIUM HALIDE SURFACTANTS, DETERGENT BUILDER; LIQUID A. E. STALEY MANUFACTURING COMPANY (US) 1986-08-19 US disclosed
US-4264479-A NONIONIC DETERGENT, TERTIARY AMINE OXIDE OR AMPHOTERIC DETERGENT, AND A QUATERNARY AMMONIUM HALIDE FLANAGAN JOHN J 1981-04-28 US disclosed
US-4248862-A Immunogenic cell envelope preparations THE SECRETARY OF STATE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1981-02-03 US disclosed
US-4203872-A NONIONIC DETERGENT, TERTIARY AMINE OXIDE OR AMPHOTERIC DETERGENT AND A QUATERNARY AMMONIUM HALIDE FLANAGAN JOHN J 1980-05-20 US disclosed
US-4174304-A NONIONIC SURFACTANTS, AMINE OXIDE, QUATERANARY AMMONIUM HALIDE Bullen Chemical Company Midwest, Inc. (US) 1979-11-13 US disclosed
US-4065409-A Hard surface detergent composition CORPORATE BRANDS, INC. (US) 1977-12-27 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 (2 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-11185544-B2 Formulations of 4-methyl-5-(pyrazin-2-yl)-3H-l,2-dithiole-3-thione, taste-modified formulations, and methods of making and using same TAS2R5, TAS2R3, TAS2R16 LSS 1192/4885LMNA 4360/4885DNM1 3602/4885
US-20230190719-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE TRPV1, PNN, SLC18A2 LSS 550/4885LMNA 1688/4885DNM1 1270/4885

“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.