SCHEMBL6240484

SCHEMBL6240484

CS(=O)(=O)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.33
ACHE P22303 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
SMO Q99835 1/20 0.30

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
SCHEMBL92880 0.97 CYP1A2 (0.37) ALDH1A1ATMCYP1A2ACHEADH1B
SCHEMBL4939644 0.94
SCHEMBL1272565 0.88
SCHEMBL12424348 0.83 JAK2 (0.33) JAK2JAK1TYK2JAK3SMO
SCHEMBL18289302 0.80 INPP5A (0.32) ACHE
SCHEMBL15014541 0.79 KDM4E (0.32) ALDH1A1ACHEJAK2JAK1TYK2
SCHEMBL14708341 0.79 KDM4E (0.32) ALDH1A1ACHEJAK2JAK1TYK2
SCHEMBL12821866 0.78 INPP5A (0.32) ACHE
SCHEMBL12821856 0.78 INPP5A (0.32) ACHE
SCHEMBL12821857 0.78 INPP5A (0.32) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067215-A1 PIPERIDINE COMPOUNDS AS MENIN INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed
EP-3347097-B1 SUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE KINASES JAK, FLT3 AND AURORA SUNSHINE LAKE PHARMA CO LTD (CN) 2021-02-24 EP disclosed
WO-2020072391-A1 SMALL MOLECULE MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-09 WO disclosed
WO-2019191526-A1 PIPERIDINE COMPOUNDS AS COVALENT MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-03 WO disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
WO-2017044434-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 WO disclosed
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 US disclosed
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-8309196-B2 Optical recording medium, optical recording material and metal complex compound MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2012-11-13 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
US-20110311752-A1 OPTICAL RECORDING MEDIUM, OPTICAL RECORDING MATERIAL AND METAL COMPLEX COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2011-12-22 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-20110069595-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2011-03-24 US disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 US disclosed
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US disclosed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 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-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB ALDH1A1 4070/4885ATM 851/4885CYP1A2 1829/4885
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK ALDH1A1 43/4885ATM 3469/4885CYP1A2 54/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK ALDH1A1 56/4885ATM 3359/4885CYP1A2 68/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 ALDH1A1 2128/4885ATM 3981/4885CYP1A2 116/4885
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885ATM 3160/4885CYP1A2 78/4885
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 ALDH1A1 1987/4885ATM 2582/4885CYP1A2 693/4885

“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.