SCHEMBL528132

SCHEMBL528132

Cc1ccc(S(=O)(=O)O)cc1.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DNMT1 P26358 1/20 0.50
CYP2D6 P10635 2/20 0.49
SNCA P37840 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
TSHR P16473 2/20 0.46

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
SCHEMBL527713 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAGAATDP1
P-Xylene SCHEMBL8660591 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL1705904 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL5068661 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL31313 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL29991938 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL11432043 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL34 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL6621981 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAGAATDP1
Methoxymethane SCHEMBL3404680 0.86 GAA (0.54) ALDH1A1SMN1; SMN2LMNAGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135181-B2 Treatment for depression and depressive disorders MEDLAB IP PTY LTD (AU) 2021-10-05 US claimed
US-20200093739-A1 SOFT CHEWS WITH LOW WATER ACTIVITY AND METHODS OF MANUFACTURING SAME FLORIDA RESEARCH GROUP LLC 2020-03-26 US claimed
US-20170312232-A1 TREATMENT FOR DEPRESSION AND DEPRESSIVE DISORDERS MEDLAB IP PTY LTD (AU) 2017-11-02 US claimed
EP-3212191-A1 TREATMENT FOR DEPRESSION AND DEPRESSIVE DISORDERS Medlab IP Pty Ltd. (AU) 2017-09-06 EP claimed
WO-2017095736-A1 ASPIRIN SOFT GELATIN CAPSULE AS A SINGLE ACTIVE OR IN COMBINATION WITH OTHER ACTIVES R.P. SCHERER TECHNOLOGIES, LLC (US) 2017-06-08 WO claimed
WO-2016065419-A1 TREATMENT FOR DEPRESSION AND DEPRESSIVE DISORDERS MEDLAB IP PTY LTD (AU) 2016-05-06 WO claimed
EP-2249868-B1 USE OF S-ADENOSYLMETHIONINE (SAM) AND SUPEROXIDE DISMUTASE (SOD) FOR THE PREPARATION OF MEDICAMENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE GNOSIS SPA (IT) 2015-09-02 EP claimed
CN-102321136-B Preparation method for S-adenosine-L-methionine disulfate tosylate BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2014-10-22 CN claimed
EP-1861075-B1 COATED GRANULAR FORMULATIONS GRAAL S R L (IT) 2012-05-16 EP claimed
US-20110020301-A1 USE OF S-ADENOSYLMETHIONINE (SAM) AND SUPEROXIDE DISMUTASE (SOD) FOR THE PREPARATION OF MEDICAMENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE GNOSIS S.P.A. (IT) 2011-01-27 US claimed
WO-2007003447-A2 COATED GRANULAR FORMULATIONS TRUFFINI & REGGE' FARMACEUTICI SPA (IT) 2007-01-11 WO claimed
US-20060275363-A1 STABLE GRANULATES CONTAINING S-ADENOSYLMETHIONINE AND PROCESS FOR PREPARATION THEREOF CHEMISTRY AND HEALTH INTERNATIONAL BV (CH) 2006-12-07 US claimed
US-7048948-B2 Stable granulates containing S-adenosylmethionine and process for the preparation thereof CHEMISTRY & HEALTH INTERNATIONAL BV (CH) 2006-05-23 US claimed
US-20040106573-A1 Stable granulates containing s-adenosylmethionine and process for the preparation thereof CHEMISTRY & HEALTH INTERNATIONAL BV (CH) 2004-06-03 US claimed
EP-1325740-B1 Stable granulates containing S-Adenosylmethionine and process for the preparation thereof CHEMISTRY & HEALTH INT BV (CH) 2004-04-21 EP claimed
EP-1325740-A1 Stable granulates containing S-Adenosylmethionine and process for the preparation thereof Chemistry & Health International B.V. (CH) 2003-07-09 EP claimed
WO-2003053412-A1 STABLE GRANULATES CONTAINING S-ADENOSYLMETHIONNE AND PROCESS FOR THE PREPARATION THEREOF CHEMISTRY & HEALTH INTERNATIONAL B.V. (CH) 2003-07-03 WO claimed
US-20020164369-A1 Novel soft-gelatin capsule comprising S-adenosylmethionine and a method for producing the same RAO CANAKAPALLI BHAKTAVATSALA (IN) 2002-11-07 US claimed
WO-2002049637-A1 A NOVEL SOFT-GELATIN CAPSULE COMPRISING S-ADENOSYLMETHIONINE AND A METHOD FOR PRODUCING THE SAME ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2002-06-27 WO claimed
EP-0501293-A1 Use of S-adenosyl-L-methionine in the treatment of intrahepatic cholestasis determined by total parenteral nutrition BIORESEARCH S.p.A. (IT) 1992-09-02 EP claimed

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-20040106573-A1 Stable granulates containing s-adenosylmethionine and process for the preparation thereof RNMT, BHMT2, GMPS ALDH1A1 3030/4885SMN1; SMN2 2282/4885LMNA 4754/4885
US-20060275363-A1 STABLE GRANULATES CONTAINING S-ADENOSYLMETHIONINE AND PROCESS FOR PREPARATION THEREOF RNMT, BHMT2, MAT2A ALDH1A1 2892/4885SMN1; SMN2 2078/4885LMNA 4735/4885

“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.