SCHEMBL5266643

SCHEMBL5266643

O=C([O-])CSC(c1ccccc1)c1ccccc1.[Na+]

nearest known ligand 0.65

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.59
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 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
SCHEMBL2577670 0.82 SLC6A3 (0.65) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2577794 0.80 SLC6A3 (0.62) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1121660 0.78 SLC6A3 (0.66) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2577789 0.78 SLC6A3 (0.61) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1537233 0.78 SLC6A3 (0.61) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13982744 0.74 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL27624146 0.74 SLC6A3 (0.56) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5022083 0.74 SLC6A3 (0.65) SLC6A3CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6691161 0.74 SLC6A3 (0.56) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8213237 0.74 SLC6A3 (0.55) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503983-B1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA FRANCIS SRL (IT) 2007-06-13 EP claimed
US-7057068-B2 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2006-06-06 US claimed
US-20050154063-A1 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2005-07-14 US claimed
EP-1503983-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL Dipharma S.p.A. (IT) 2005-02-09 EP claimed
WO-2003095423-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA S.P.A. (IT) 2003-11-20 WO claimed
EP-1503983-B1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA FRANCIS SRL (IT) 2007-06-13 EP disclosed
EP-1503983-B1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA FRANCIS SRL (IT) 2007-06-13 EP disclosed
US-7057068-B2 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2006-06-06 US disclosed
US-7057068-B2 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2006-06-06 US disclosed
US-20050154063-A1 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2005-07-14 US disclosed
US-20050154063-A1 Process for the preparation of modafinil DIPHARMA S.P.A. (IT) 2005-07-14 US disclosed
EP-1503983-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL Dipharma S.p.A. (IT) 2005-02-09 EP disclosed
EP-1503983-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL Dipharma S.p.A. (IT) 2005-02-09 EP disclosed
WO-2003095423-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA S.P.A. (IT) 2003-11-20 WO disclosed
WO-2003095423-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA S.P.A. (IT) 2003-11-20 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 (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-20050154063-A1 Process for the preparation of modafinil SULT2A1, AADAC, SULT1A1 SLC6A3 166/4885CYP1A2 72/4885CYP3A4 54/4885

“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.