SCHEMBL330673

SCHEMBL330673

Cc1ccc(S([O])(=O)=O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
ALOX12 P18054 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
MEP1B Q16820 1/20 0.46
RAPGEF4 Q8WZA2 3/20 0.45
KDM4E B2RXH2 1/20 0.45
F2 P00734 1/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2236507 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL7896750 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL4396839 0.81 L3MBTL1 (0.63) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL16712195 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDPOLBKMT2A
SCHEMBL6113219 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL28417626 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL6050314 0.79 ALDH1A1 (0.51) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL4396834 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL30266645 0.79 PDIA6 (0.55) ALDH1A1MAPTHPGDPOLBALOX12
SCHEMBL11587898 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDPOLBALOX12

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 61 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
CN-103613527-B N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2016-02-24 CN disclosed
EP-2489706-B1 Ink composition and ink jet recording method using the same SEIKO EPSON CORP (JP) 2015-03-04 EP 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-103108924-B Ink composition, inkjet recording method and colored body NIPPON KAYAKU KK 2014-08-20 CN disclosed
US-7087778-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US disclosed
CN-1733744-A Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SEIYAKU CO (JP) 2006-02-15 CN disclosed
US-20060014947-A1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. 2006-01-19 US disclosed
WO-2005092832-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 WO disclosed
CN-1195759-C Process for preparing benzoxazine derivatives and intermediates thereof DAIICHI SEIYAKU CO (JP) 2005-04-06 CN disclosed
US-6872823-B1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-29 US disclosed
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. 2005-02-03 US disclosed
CN-1532181-A Intermediate for preparing benzoxazine derivative and preparation method thereof 第一制药株式会社 2004-09-29 CN disclosed
CN-1379779-A Process for preparing benzoxazine derivatives and intermediates thereof DAIICHI SEIYAKU CO (JP) 2002-11-13 CN disclosed
EP-1211254-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 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 (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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885MAPT 1263/4885HPGD 1739/4885
US-20060014947-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 ALDH1A1 393/4885MAPT 3583/4885HPGD 141/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885MAPT 1263/4885HPGD 1739/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885MAPT 1263/4885HPGD 1739/4885
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 ALDH1A1 299/4885MAPT 3516/4885HPGD 134/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885MAPT 1263/4885HPGD 1739/4885

“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.