SCHEMBL330834

SCHEMBL330834

Cc1cccc(S([O])(=O)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 1/20 0.35
EDNRA P25101 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL7896751 0.83 KMT2A (0.47) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL1538438 0.83 KMT2A (0.56) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL3796970 0.81 KEAP1 (0.50) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL29604136 0.81 KEAP1 (0.50) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL79052 0.80 TSHR (0.45) KMT2AKEAP1NFE2L2TSHRALDH1A1
SCHEMBL401308 0.79 CA2 (0.47) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL3780 0.79 MYC (0.46) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL6113033 0.79 KMT2A (0.45) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL691798 0.79 KMT2A (0.45) KMT2AKEAP1NFE2L2TRPA1ATM
SCHEMBL31506947 0.79 MYC (0.46) KMT2AKEAP1NFE2L2TRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547952-A TREATMENT OF CATARACTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 US claimed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
EP-1881975-B1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2014-01-08 EP disclosed
EP-2407451-B1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2013-11-20 EP disclosed
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 EP disclosed
US-20070219374-A1 Method of Producing Aminophenol Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1938261-A Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2007-03-28 CN disclosed
EP-1727782-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-12-06 EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO disclosed
WO-2005092832-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 WO disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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 (7 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-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KMT2A 1306/4885KEAP1 2429/4885NFE2L2 3939/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 KMT2A 1306/4885KEAP1 2429/4885NFE2L2 3939/4885
US-20070219374-A1 Method of Producing Aminophenol Compounds PAH, CYP1A1, CYP1B1 KMT2A 1289/4885KEAP1 323/4885NFE2L2 160/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KMT2A 1306/4885KEAP1 2429/4885NFE2L2 3939/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KMT2A 1306/4885KEAP1 2429/4885NFE2L2 3939/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KMT2A 1306/4885KEAP1 2429/4885NFE2L2 3939/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KMT2A 493/4885KEAP1 193/4885NFE2L2 892/4885

“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.