SCHEMBL6728134

SCHEMBL6728134

CC(Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.54
SLC6A2 P23975 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
MAOA P21397 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
CYP2D6 P10635 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TRPA1 O75762 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.47
CYP1A2 P05177 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
SCHEMBL963375 0.83 TAAR1 (0.58) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Amphetamine SCHEMBL41204 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Amphetamine SCHEMBL6465998 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Amphetamine SCHEMBL2412146 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Dextroamphetamine SCHEMBL7204032 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Amphetamine SCHEMBL8025793 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Amphetamine SCHEMBL4016537 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Dextroamphetamine SCHEMBL18948 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Amphetamine SCHEMBL41203 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Levamfetamine SCHEMBL396231 0.82 TAAR1 (0.76) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-8871720-B2 Monomethylvaline compounds having phenylalanine carboxy modifications at the C-terminus SEATTLE GENETICS, INC. (US) 2014-10-28 US disclosed
US-20140001422-A1 COMPOSITION OF SILVER-CONJUGATED COMPOUND COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2478981-A1 SILVER-(CONJUGATED COMPOUND) COMPLEX Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus SEATTLE GENECTICS, INC. (US) 2009-04-30 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-2000023413-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 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-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus MMAB, PTMS, CAD TAAR1 4232/4885SLC6A2 3095/4885SIGMAR1 4387/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 TAAR1 1548/4885SLC6A2 4298/4885SIGMAR1 1608/4885

“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.