SCHEMBL699706

SCHEMBL699706

Cc1c(Cl)ccc(S(C)(=O)=O)c1/C=N\O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
WDR5 P61964 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
HSD11B1 P28845 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL699707 1.00 HPGD (0.35) HPGDGFERHTTLMNAMEN1
SCHEMBL701220 0.80 HPGD (0.35) HPGDGFERHTTLMNAMEN1
SCHEMBL7234146 0.80 HPGD (0.35) HPGDGFERHTTLMNAMEN1
SCHEMBL701221 0.80 HPGD (0.35) HPGDGFERHTTLMNAMEN1
SCHEMBL6660559 0.80 SMN1; SMN2 (0.40) HPGDGFERHTTLMNAMEN1
SCHEMBL6660556 0.80 SMN1; SMN2 (0.40) HPGDGFERHTTLMNAMEN1
SCHEMBL30620545 0.74 VCAM1 (0.38) HPGDHTTLMNAMEN1KMT2A
SCHEMBL4700348 0.74 VCAM1 (0.38) HPGDHTTLMNAMEN1KMT2A
SCHEMBL4700345 0.74 VCAM1 (0.38) HPGDHTTLMNAMEN1KMT2A
SCHEMBL701788 0.74 L3MBTL1 (0.41) HTTLMNAALDH1A1L3MBTL1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325176-B1 Process for the preparation of Isoxazolin-3-yl-Acylbenzenes BASF SE (DE) 2015-02-25 EP disclosed
EP-2298749-B1 Process for the preparation of Thioethers BASF SE (DE) 2014-12-24 EP 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
EP-2325176-A1 Process for the preparation of isoxazolin-3-yl-acylbenzenes BASF SE (DE) 2011-05-25 EP disclosed
EP-2298749-A1 Process for the preparation of Thioethers BASF SE (DE) 2011-03-23 EP 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
US-7309802-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2007-12-18 US disclosed
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2003-11-20 US disclosed
US-6608209-B2 Reacting a nitro-o-methylphenyl compound with an organic nitrite in presence of a base to give an oxime, cyclizing the oxime with an alkene in presence of a base to give an intermediate, reducing nitrogroup in presence of catalyst BASF AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
US-6525204-B1 Oximination reaction of nitro-o-methylphenyl compound with organic nitrite; cyclization with alkene in basic catalyst presence; reduction, bromination, oxidation, carboxylation BASF AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes DEYN WOLFGANG VON (DE) 2003-02-06 US disclosed
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2003-01-23 US disclosed
US-6469176-B1 CROP PROTECTION COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
EP-1129082-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
EP-1077955-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
WO-2000029394-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-1999058509-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 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 (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-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB HPGD 1423/4885GFER 463/4885HTT 2661/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB HPGD 1423/4885GFER 463/4885HTT 2661/4885
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene UQCRB, CYP1B1, CYP2F1 HPGD 2063/4885GFER 710/4885HTT 3517/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 HPGD 2407/4885GFER 746/4885HTT 3649/4885
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 HPGD 1448/4885GFER 911/4885HTT 3867/4885

“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.