SCHEMBL527713

SCHEMBL527713

Cc1ccc(S(=O)(=O)O)cc1.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
SCHEMBL528132 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318393-A1 Use of ademetionine against ageing of the skin ELF SANOFI (FR) 1989-05-31 EP claimed
US-11752123-B2 Compositions comprising theanine, s-adenosylmethionine (SAMe), and/or magnolia and phellodendron NUTRAMAX LABORATORIES, INC. (US) 2023-09-12 US disclosed
US-20230157984-A1 COMPOSITIONS COMPRISING THEANINE, MAGNOLIA, AND PHELLODENDRON NUTRAMAX LAB INC (US) 2023-05-25 US disclosed
WO-2021106004-A1 PHARMACEUTICAL COMPOSITION OF S-ADENOSYLMETHIONINE KUSUM HEALTHCARE PVT. LTD. (IN) 2021-06-03 WO disclosed
US-20210137870-A1 COMPOSITIONS COMPRISING THEANINE, S-ADENOSYLMETHIONINE (SAMe), AND/OR MAGNOLIA AND PHELLODENDRON NUTRAMAX LAB INC (US) 2021-05-13 US disclosed
US-10940130-B2 Compositions comprising theanine and whey protein NUTRAMAX LABORATORIES, INC. (US) 2021-03-09 US disclosed
EP-3662919-A1 COMPOSITIONS COMPRISING MAGNOLIA, PHELLODENDRON, THEANINE AND/OR WHEY PROTEIN NUTRAMAX LABORATORIES, INC. (US) 2020-06-10 EP disclosed
US-20190290608-A1 COMPOSITIONS COMPRISING MAGNOLIA, PHELLODENDRON, THEANINE AND/OR WHEY PROTEIN NUTRAMAX LAB INC (US) 2019-09-26 US disclosed
US-10335384-B2 Compositions comprising magnolia, phellodendron, theanine and/or whey protein NUTRAMAX LABORATORIES, INC. (US) 2019-07-02 US disclosed
EP-3344273-A1 COMPOSITIONS COMPRISING MAGNOLIA, PHELLODENDRON, THEANINE AND/OR WHEY PROTEIN NUTRAMAX LABORATORIES, INC. (US) 2018-07-11 EP disclosed
WO-2009008019-A1 STABLE SALTS OF S-ADENOSYLMETHIONINE AND PROCESS FOR THE PREPARATION THEREOF GNOSIS SPA (IT) 2009-01-15 WO disclosed
US-20080206333-A1 Extended Release Pharmaceutical Formulations of S-Adenosylmethionine METHYLATION SCIENCES INTERNATIONAL SRL (BB) 2008-08-28 US disclosed
WO-2008095142-A1 EXTENDED RELEASE PHARMACEUTICAL FORMULATIONS OF S-ADENOSYLMETHIONINE METHYLATION SCIENCES INTERNATIONAL SRL (CA) 2008-08-07 WO disclosed
US-4956173-A COSMETICS, DRUGS SOCIETE ANONYME: SANOFI (FR) 1990-09-11 US disclosed
EP-0318393-A1 Use of ademetionine against ageing of the skin ELF SANOFI (FR) 1989-05-31 EP disclosed
EP-0141914-B1 PROCESS FOR PRODUCING STABLE S-ADENOSYL-L-METHIONINE SALTS BIORESEARCH S.p.A. (IT) 1987-12-23 EP disclosed
US-4621056-A Process for producing stable sulpho-adenosyl-L-methionine salts BIORESEARCH S.P.A (IT) 1986-11-04 US disclosed
EP-0141914-A1 Process for producing stable S-adenosyl-L-methionine salts BIORESEARCH S.p.A. (IT) 1985-05-22 EP disclosed
US-4028183-A MULTISTAGE, MULTIZONAL; ATP-METHIONINE-ADENOSYL-TRANSFERASE ON ATP BIORESEARCH LIMITED (IT) 1977-06-07 US disclosed
US-3954726-A Double salts of S-adenosil-L-methionine BIORESEARCH LIMITED (IT) 1976-05-04 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-20080206333-A1 Extended Release Pharmaceutical Formulations of S-Adenosylmethionine MAT2A, MAT1A, AMD1 ALDH1A1 331/4885SMN1; SMN2 2407/4885LMNA 3515/4885

“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.