SCHEMBL4638703

SCHEMBL4638703

CSc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
SLC6A2 P23975 3/20 0.54
SLC6A3 Q01959 3/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CYP1A2 P05177 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 3/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL2774995 0.88 CYP1A1 (0.52) SLC6A4SLC6A2SLC6A3MAOBCYP1A2
SCHEMBL27458776 0.86 MAOA (0.56) SLC6A4SLC6A2SLC6A3MAOAMAOB
Methylsulfanylmethane SCHEMBL27435778 0.85 MAOA (0.61) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL96393 0.85
SCHEMBL3671853 0.83 HSPB1 (0.51) SLC6A4SLC6A2SLC6A3CYP1A2MEN1
SCHEMBL8158436 0.83 CYP1A2 (0.55) SLC6A4SLC6A2SLC6A3MAOAMAOB
Fluoride SCHEMBL895300 0.83 CYP1A2 (0.55) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL943600 0.81 MAOA (0.56) MAOAMAOBCYP1A2MEN1KMT2A
SCHEMBL9242729 0.80 MAOA (0.74) MAOAMAOBCYP1A2MEN1KMT2A
SCHEMBL457634 0.80 MAOA (0.74) MAOAMAOBCYP1A2MEN1KMT2A

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-1357109-B1 Process for aryl alkyl sulfide HOFFMANN LA ROCHE (CH) 2008-07-23 EP claimed
CN-1160326-C Process for prodcing 3-aryl sulfate iso-hydroximic acid - 2004-08-04 CN claimed
EP-1357109-A2 Process for aryl alkyl sulfide F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP claimed
US-20020133030-A1 Processes for preparing 3-arylsulfur hydroxamic acids SYNTEX USA, LLC (US) 2002-09-19 US claimed
US-20020038037-A1 Processes for preparing 3-arylsulfur hydroxamic acids SYNTEX (U.S.A.) INC. (US) 2002-03-28 US claimed
US-6342639-B1 ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES SYNTEX (U.S.A.) LLC 2002-01-29 US claimed
EP-0965592-A1 Process for preparing 3-arylsulfur hydroxamic acids F. HOFFMANN-LA ROCHE AG (CH) 1999-12-22 EP claimed
CN-1160326-C Process for prodcing 3-aryl sulfate iso-hydroximic acid - 2004-08-04 CN disclosed
CN-1101809-C Process for preparing 3-arylsulfur hydroxamic acids HOFFMANN LA ROCHE (CH) 2003-02-19 CN disclosed
US-6518460-B2 Antiinflammatory agents; cardiovascular disorders SYNTEX (U.S.A.) LLC 2003-02-11 US disclosed
US-20020133030-A1 Processes for preparing 3-arylsulfur hydroxamic acids SYNTEX USA, LLC (US) 2002-09-19 US disclosed
US-6420573-B1 ALKYLATING A COMPOUND OF FORMULA II, RO-C( HORIZONTAL-LINE O)-CH(R1)(R2), WHERE R IS ALKYL OR HYDROGEN, WITH AN ARYLMETHYLTHIO COMOPUND; REPLACING GROUP RO-WITH XONX- AND OXIDIZING SYNTEX (U.S.A.) LLP 2002-07-16 US disclosed
US-20020038037-A1 Processes for preparing 3-arylsulfur hydroxamic acids SYNTEX (U.S.A.) INC. (US) 2002-03-28 US disclosed
US-6342639-B1 ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES SYNTEX (U.S.A.) LLC 2002-01-29 US disclosed
WO-2001062720-A1 METHOD FOR PRODUCING 1-CHLORO-4-[4-(ALKYLTHIO)PHENOXY]-BENZENES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-30 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 (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-20020038037-A1 Processes for preparing 3-arylsulfur hydroxamic acids HAX1, ARSA, PRDX1 SLC6A4 3075/4885SLC6A2 4071/4885SLC6A3 3480/4885
US-20020133030-A1 Processes for preparing 3-arylsulfur hydroxamic acids HAX1, ARSA, PRDX1 SLC6A4 3075/4885SLC6A2 4071/4885SLC6A3 3480/4885

“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.