SCHEMBL330720

SCHEMBL330720

CCc1ccc(S([O])(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.64
UCHL1 P09936 1/20 0.50
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
PSIP1 O75475 1/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
VDR P11473 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL678812 0.82 CA2 (0.67) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL330903 0.81 CA2 (0.67) CA2KMT2AL3MBTL1ALDH1A1PSIP1
SCHEMBL9908320 0.80 PSIP1 (0.68) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL172035 0.80 CA2 (0.64) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL16066056 0.78 CA2 (0.61) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL3248478 0.78 CA2 (0.61) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL344067 0.78 CA2 (0.61) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL6038843 0.78 CA2 (0.61) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL1563242 0.78 CA2 (0.61) CA2UCHL1KMT2AL3MBTL1ALDH1A1
SCHEMBL451007 0.78 CA2 (0.61) CA2UCHL1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908884-B2 Benzazolonylcarbonylcyclohexenones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-06-21 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
CN-103613527-B N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2016-02-24 CN 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
CN-103613587-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD 2014-03-05 CN disclosed
CN-103613527-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD 2014-03-05 CN disclosed
CN-100343232-C Bisimide compound, acid generator and resist composition using the same, and pattern forming method using the composition WAKO PURE CHEM IND LTD (JP) 2007-10-17 CN 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
CN-1592738-A Bismide compound, acid generator and resist composition each containing the same, and method of forming pattern from the composition WAKO PURE CHEM IND LTD (JP) 2005-03-09 CN disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed
CN-1066653-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1992-12-02 CN 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 (5 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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 CA2 2876/4885UCHL1 3324/4885KMT2A 1306/4885
US-20070219374-A1 Method of Producing Aminophenol Compounds PAH, CYP1A1, CYP1B1 CA2 1903/4885UCHL1 1818/4885KMT2A 1289/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CA2 2876/4885UCHL1 3324/4885KMT2A 1306/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CA2 2876/4885UCHL1 3324/4885KMT2A 1306/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CA2 2876/4885UCHL1 3324/4885KMT2A 1306/4885

“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.