SCHEMBL702111

SCHEMBL702111

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(C3=NOCC3)c2C)c1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4697645 0.92 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1GAAHTTRAB9A
SCHEMBL4267215 0.91 RAB9A (0.32) SMN1; SMN2RAB9A
Topramezone SCHEMBL116121 0.87
Topramezone SCHEMBL29566850 0.87
SCHEMBL6969239 0.85
SCHEMBL6605808 0.82 HDAC9 (0.31)
SCHEMBL13415355 0.82 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1GAAHTTRAB9A
SCHEMBL7690468 0.82
SCHEMBL4702536 0.81 NPC1 (0.32) SMN1; SMN2RAB9A
Topramezone SCHEMBL19838478 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11240872-A None JP disclosed
EP-1031573-B2 USE OF A BENZOYLPYRAZOLE COMPOUND AS HERBICIDE NIPPON SODA CO (JP) 2015-05-27 EP disclosed
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-6706886-B2 HERBICIDES; 3-(2-THIO-)-PHENYLISOXAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
US-6670482-B2 Which are used as herbicides, by forming a 2-(isoxazol-3-yl)-aniline compound of given formula and then halogenation, thioalkylation, oxidation and acylation; fewer steps, efficiency BASF AKTIENGESELLSCHAFT (DE) 2003-12-30 US disclosed
US-20030220505-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes VON DEYN WOLFGANG (DE) 2003-11-27 US disclosed
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2003-11-20 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
US-6147031-A Benzoylpyrazole compounds, intermediate preparing therefor and herbicides NIPPON SODA CO., LTD. (JP) 2000-11-14 US disclosed
EP-1031573-A1 NOVEL BENZOYLPYRAZOLE COMPOUNDS, INTERMEDIATES, AND HERBICIDES NIPPON SODA CO., LTD. (JP) 2000-08-30 EP disclosed
JP-H11240872-A NEW BENZOYLPYRAZOLE COMPOUND, INTERMEDIATE FOR ITS PRODUCTION AND HERBICIDE NIPPON SODA CO LTD 1999-09-07 JP 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-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB SMN1; SMN2 4343/4885ALDH1A1 549/4885GAA 3978/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB SMN1; SMN2 4343/4885ALDH1A1 549/4885GAA 3978/4885
US-20030220505-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 SMN1; SMN2 4698/4885ALDH1A1 229/4885GAA 4212/4885
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene UQCRB, CYP1B1, CYP2F1 SMN1; SMN2 4162/4885ALDH1A1 274/4885GAA 4064/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 SMN1; SMN2 4220/4885ALDH1A1 352/4885GAA 4157/4885
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 SMN1; SMN2 4698/4885ALDH1A1 229/4885GAA 4212/4885

“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.