SCHEMBL1962786

SCHEMBL1962786

CNCCS(=O)(=O)[O-].CNCCS(=O)(=O)[O-].[Mg+2]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.52
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11729796 0.94 BBOX1 (0.52) BBOX1KDM4EMAPTALOX15GMNN
Lithium Ion SCHEMBL17272305 0.94
SCHEMBL646481 0.94
SCHEMBL31268422 0.94 BBOX1 (0.52) BBOX1KDM4EMAPTALOX15GMNN
SCHEMBL10866607 0.94 BBOX1 (0.52) BBOX1KDM4EMAPTALOX15GMNN
Potassium Ion SCHEMBL1961610 0.94
Potassium Ion SCHEMBL17272440 0.79 BBOX1 (0.48) BBOX1KDM4EMAPTALOX15GMNN
Lithium Ion SCHEMBL17272060 0.79 BBOX1 (0.48) BBOX1KDM4EMAPTALOX15GMNN
SCHEMBL17272288 0.79 BBOX1 (0.48) BBOX1KDM4EMAPTALOX15GMNN
SCHEMBL17272350 0.77 BBOX1 (0.46) BBOX1KDM4EMAPTALOX15GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051271-A1 METHOD FOR PREPARING TAURINE, METHYLTAURATE AND METHYLTAURINE SIMULTANEOUSLY QIANJIANG YONGAN PHARMACEUTICAL CO., LTD. (CN) 2025-02-13 US claimed
EP-4506333-A1 METHOD FOR PREPARING TAURINE, METHYLTAURATE AND METHYLTAURINE SIMULTANEOUSLY Qiangjiang Yongan Pharmaceutical Co., Ltd. (CN) 2025-02-12 EP claimed
US-20250051271-A1 METHOD FOR PREPARING TAURINE, METHYLTAURATE AND METHYLTAURINE SIMULTANEOUSLY QIANJIANG YONGAN PHARMACEUTICAL CO., LTD. (CN) 2025-02-13 US disclosed
EP-4506333-A1 METHOD FOR PREPARING TAURINE, METHYLTAURATE AND METHYLTAURINE SIMULTANEOUSLY Qiangjiang Yongan Pharmaceutical Co., Ltd. (CN) 2025-02-12 EP disclosed
EP-1928402-B1 Carnitine derivative, salt thereof, external skin preparation and cosmetic preparation SHOWA DENKO KK (JP) 2014-03-12 EP disclosed
US-8551509-B2 Skin agent for external use and cosmetic agent including ubiquinone derivative or salt thereof and method using the same SHOWA DENKO K.K. (JP) 2013-10-08 US disclosed
US-20110144062-A1 DERMATOLOGICAL ANTI-WRINKLE AGENT SHOWA DENKO K.K. (JP) 2011-06-16 US disclosed
US-7842726-B2 Carnitine derivative, salt thereof, external skin preparation and cosmetic material SHOWA DENKO K.K. (JP) 2010-11-30 US disclosed
EP-1912708-B1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO KK (JP) 2010-09-08 EP disclosed
US-20100152139-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO K.K. (JP) 2010-06-17 US disclosed
US-20100152134-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO K.K. (JP) 2010-06-17 US disclosed
EP-1981492-A1 WHITENING DERMATOLOGICAL PREPARATIONS Showa Denko K.K. (JP) 2008-10-22 EP disclosed
WO-2008047882-A1 SKIN AGENT FOR EXTERNAL USE AND COSMETIC AGENT INCLUDING UBIQUINONE DERIVATIVE OR SALT THEREOF AND METHOD USING THE SAME SHOWA DENKO K.K. (JP) 2008-04-24 WO disclosed
EP-1912708-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION Showa Denko K.K. (JP) 2008-04-23 EP disclosed
EP-1909917-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION Showa Denko K.K. (JP) 2008-04-16 EP disclosed
WO-2008001921-A2 DERMATOLOGICAL ANTI-WRINKLE AGENT SHOWA DENKO K.K. (JP) 2008-01-03 WO disclosed
WO-2007091694-A1 WHITENING DERMATOLOGICAL PREPARATIONS SHOWA DENKO K.K. (JP) 2007-08-16 WO disclosed
WO-2007043339-A9 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL SHOWA DENKO KK (JP) 2007-06-07 WO disclosed
WO-2007013634-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO K.K. (JP) 2007-02-01 WO disclosed
WO-2007013633-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO K.K. (JP) 2007-02-01 WO 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-20100152134-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION DEGS1, DSG1, TTPA BBOX1 2475/4885KDM4E 2019/4885MAPT 3584/4885
US-20100152139-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION CUTA, LIPA, ASAH1 BBOX1 3609/4885KDM4E 3418/4885MAPT 4443/4885
US-20110144062-A1 DERMATOLOGICAL ANTI-WRINKLE AGENT CUTA, COL1A1, GLA BBOX1 2276/4885KDM4E 564/4885MAPT 2399/4885

“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.