SCHEMBL6720360

SCHEMBL6720360

CC(CCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 2/20 0.50
ANPEP P15144 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
ERAP2 Q6P179 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MCL1 Q07820 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 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
SCHEMBL23322456 0.89 GRIK1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10613686 0.89 GRIK1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10406396 0.87 KMT2A (0.50) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL6720359 0.82 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL16594693 0.82 CA1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL22265816 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL27631211 0.81 ANPEP (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6728134 0.80 TAAR1 (0.54) CYP1A2ANPEPNPC1RAB9A
SCHEMBL10066450 0.80 FDFT1 (0.52)
SCHEMBL10771432 0.79 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR

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
US-11535647-B2 Peptide purification method using sulfonate compound NAGASE & CO., LTD. (JP) 2022-12-27 US disclosed
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND NAGASE & CO., LTD. (JP) 2022-05-12 US disclosed
EP-3851446-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND Nagase & Co., Ltd. (JP) 2021-07-21 EP disclosed
US-10364217-B2 Chemical compounds RESMAN AS (NO) 2019-07-30 US disclosed
US-20160214930-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2016-07-28 US disclosed
US-20150094240-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2015-04-02 US disclosed
US-8093304-B2 Demulsification of water-in-oil emulsion EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2012-01-10 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
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO 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
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 (6 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-20160214930-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR ALDH1A1 1333/4885CYP1A2 574/4885CYP2C9 1015/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 ALDH1A1 709/4885CYP1A2 32/4885CYP2C9 122/4885
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND VIP, IAPP, RPS27A ALDH1A1 4729/4885CYP1A2 4855/4885CYP2C9 4295/4885
US-20150094240-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR ALDH1A1 1333/4885CYP1A2 574/4885CYP2C9 1015/4885
US-11535647-B2 Peptide purification method using sulfonate compound VIP, IAPP, RPS27A ALDH1A1 4729/4885CYP1A2 4855/4885CYP2C9 4295/4885
US-10364217-B2 Chemical compounds PTGES, PTGIS, PTGFR ALDH1A1 1333/4885CYP1A2 574/4885CYP2C9 1015/4885

“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.