SCHEMBL707747

SCHEMBL707747

C=CCS(=O)(=O)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
C5AR1 P21730 1/20 0.35
PKM P14618 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL11024017 0.82 KEAP1 (0.44) ALDH1A1KDM4EKEAP1NFE2L2KMT2A
SCHEMBL28740904 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EKEAP1NFE2L2KMT2A
SCHEMBL28240608 0.79 KEAP1 (0.42) ALDH1A1KDM4EKEAP1NFE2L2KMT2A
SCHEMBL5412466 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AHTTL3MBTL1
SCHEMBL1204858 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AHTTL3MBTL1
SCHEMBL10180137 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AHTTL3MBTL1
SCHEMBL1204933 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AHTTL3MBTL1
SCHEMBL385916 0.78 KEAP1 (0.46) ALDH1A1KDM4EKEAP1NFE2L2KMT2A
SCHEMBL7194392 0.77 KEAP1 (0.57) ALDH1A1KDM4EKEAP1NFE2L2KMT2A
SCHEMBL3882288 0.77 PSIP1 (0.50) ALDH1A1KDM4EKEAP1NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
CN-104379568-A Quinazolinedione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
US-8124810-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2012-02-28 US disclosed
US-8049017-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2011-11-01 US disclosed
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES RHEINHEIMER JOACHIM 2011-06-23 US disclosed
CN-101113137-B Intermidiate for preparing 1,2-oxygen nitrogen heterocyclic-2-alkene acylbenzene and its preparation BASF AG 2010-12-29 CN disclosed
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES BASF SE (DE) 2010-04-29 US disclosed
US-7663001-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
CN-100516030-C Intermidiate for preparing 1,2-oxygen nitrogen heterocyclic-2-alkene acylbenzene and its preparation BASF AG (DE) 2009-07-22 CN disclosed
CN-101113137-A Intermidiate for preparing 1,2-oxygen nitrogen heterocyclic-2-alkene acylbenzene and its preparation BASF AG (DE) 2008-01-30 CN disclosed
CN-1300284-A Preparation of isoxazolin-3-yl-acylbenzenes BASF AG (DE) 2001-06-20 CN disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed
EP-0380578-B1 A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-03-17 EP disclosed
US-5189199-A Process for the preparation of 1,4-disubstituted 2-butenes EASTMAN KODAK COMPANY (US) 1993-02-23 US disclosed
EP-0380578-A1 A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES. EASTMAN KODAK CO (US) 1990-08-08 EP disclosed
WO-1989002883-A1 A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES EASTMAN KODAK COMPANY (US) 1989-04-06 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 (2 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-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ALDH1A1 549/4885KDM4E 2534/4885KEAP1 2189/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ALDH1A1 549/4885KDM4E 2534/4885KEAP1 2189/4885

“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.