SCHEMBL1121660

SCHEMBL1121660

CC(=O)CSC(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.66
SLC6A4 P31645 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 0.83 SLC6A3 (0.65) SLC6A3SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2577794 0.82 SLC6A3 (0.62) SLC6A3SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL6075209 0.81 SLC6A3 (0.68) SLC6A3SLC6A4
SCHEMBL11267858 0.80 SLC6A3 (0.71) SLC6A3SLC6A4
SCHEMBL2577789 0.80 SLC6A3 (0.61) SLC6A3SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL1537233 0.80 SLC6A3 (0.61) SLC6A3SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL5022083 0.79 SLC6A3 (0.65) SLC6A3SLC6A4CYP1A2CYP3A4CYP2C9
SCHEMBL13982744 0.79 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL5266643 0.78 SLC6A3 (0.59) SLC6A3SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL25658418 0.77 ALDH1A1 (0.44) SLC6A3CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153667-B2 ATPase inhibitors; Substituted fluorene or benzenerings joined to an alkylene through a sulfone or sulfoxide linkage; without excessive toxicity, irritation, allergic response etc.; sleep dioredrs like excessive sleepiness; Parkinson's disease; Alzheimer's disease; ADD; ADHA; depression, fatigue CEPHALON, INC. (US) 2012-04-10 US disclosed
US-7915449-B2 Contacting the corresponding sulfur compound with complex, bas and oxidizer; oxidation; isolation CEPHALON FRANCE (FR) 2011-03-29 US disclosed
US-7812193-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2010-10-12 US disclosed
US-20080319227-A1 Processes for the Preparation of Modafinil and Analogs Thereof MALLINCKRODT LLC 2008-12-25 US disclosed
US-20080214868-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2008-09-04 US disclosed
US-20080171896-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CEPHALON FRANCE (FR) 2008-07-17 US disclosed
US-7368591-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2008-05-06 US disclosed
US-20080070956-A1 Tricyclic aromatic and bis-phenyl sulfinyl derivatives CEPHALON, INC. (US) 2008-03-20 US disclosed
US-7317126-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2008-01-08 US disclosed
US-7314875-B2 Tricyclic aromatic and bis-phenyl sulfinyl derivatives CEPHALON, INC. (US) 2008-01-01 US disclosed
US-7186860-B2 Process for the preparation of 2-[(diphenylmethyl) thio] acetamide ALEMBIC LIMITED (IN) 2007-03-06 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 (4 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-20080171896-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation MAOA, CYP2F1, MAOB SLC6A3 561/4885SLC6A4 1149/4885CYP1A2 13/4885
US-20080214868-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CYP2F1, MAOA, MAOB SLC6A3 594/4885SLC6A4 1195/4885CYP1A2 11/4885
US-20080070956-A1 Tricyclic aromatic and bis-phenyl sulfinyl derivatives PAH, TYR, AHR SLC6A3 1001/4885SLC6A4 179/4885CYP1A2 27/4885
US-20080319227-A1 Processes for the Preparation of Modafinil and Analogs Thereof ADH5, ADH1A, CYP2F1 SLC6A3 386/4885SLC6A4 1546/4885CYP1A2 20/4885

“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.