SCHEMBL394046

SCHEMBL394046

NS(=O)(=O)CCCC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 3/20 0.51
CA12 O43570 2/20 0.51
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
CDC25B P30305 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL7053601 0.84 LMNA (0.55) LMNAALDH1A1MAPK1L3MBTL1CA1
SCHEMBL18673 0.83 ALDH1A1 (0.68) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL3963428 0.83 ALDH1A1 (0.68) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL30200673 0.82 CA1 (0.50) LMNAALDH1A1MAPK1L3MBTL1CA1
SCHEMBL26696191 0.82 CA2 (0.56) LMNAALDH1A1MAPK1L3MBTL1CA1
SCHEMBL31626600 0.81 LMNA (0.52) LMNAALDH1A1MAPK1L3MBTL1CA1
SCHEMBL118235 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28600680 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL2926392 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL20624816 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090658-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-11-23 EP disclosed
CN-115038697-A Therapeutic agents and methods of treatment 佛罗里达大学研究基金公司 2022-09-09 CN disclosed
WO-2021146536-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-07-22 WO disclosed
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
CN-103224506-A Antiviral indoles ANGELETTI P IST RICHERCHE BIO 2013-07-31 CN disclosed
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-7767660-B2 Antiviral indoles ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-03 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 EP disclosed
CN-101563352-A Antiviral indoles ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-21 CN disclosed
US-20080214522-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-09-04 US disclosed
WO-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 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 (3 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 LMNA 1700/4885ALDH1A1 1086/4885MAPK1 4419/4885
US-20080214522-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 LMNA 1814/4885ALDH1A1 1120/4885MAPK1 4472/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 LMNA 4183/4885ALDH1A1 1689/4885MAPK1 363/4885

“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.