SCHEMBL701788

SCHEMBL701788

Cc1c(Cl)ccc(S(C)(=O)=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.38
CES1 P23141 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
EPAS1 Q99814 2/20 0.36
LMNA P02545 2/20 0.36
CCR2 P41597 4/20 0.36
ALDH1A1 P00352 3/20 0.35
WDR5 P61964 1/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2017068 0.84 LMNA (0.43) L3MBTL1HSD11B1CES1S1PR2S1PR4
SCHEMBL7591942 0.80 ALDH1A1 (0.43) L3MBTL1LMNAALDH1A1
SCHEMBL27492603 0.80 KMT2A (0.38) HSD11B1CES1LMNAALDH1A1WDR5
SCHEMBL3277048 0.80 HSD11B1 (0.50) HSD11B1CCR2ALDH1A1
SCHEMBL29639823 0.77 EPAS1 (0.45) L3MBTL1EPAS1LMNAHTTNPSR1
SCHEMBL28939203 0.77 EPAS1 (0.45) L3MBTL1EPAS1LMNAHTTNPSR1
SCHEMBL31453874 0.76 L3MBTL1 (0.44) L3MBTL1S1PR2S1PR4S1PR3EPAS1
SCHEMBL9343399 0.76 L3MBTL1 (0.44) L3MBTL1S1PR2S1PR4S1PR3EPAS1
SCHEMBL7972629 0.74 HTT (0.46) L3MBTL1HSD11B1LMNACCR2ALDH1A1
SCHEMBL699706 0.74 HPGD (0.35) L3MBTL1HSD11B1S1PR2S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110922367-A Intermediate of topramezone and preparation method of topramezone 江苏中旗科技股份有限公司 2020-03-27 CN 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-7663001-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2010-02-16 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-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-1077955-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP 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 (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 L3MBTL1 2376/4885HSD11B1 922/4885CES1 603/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB L3MBTL1 2376/4885HSD11B1 922/4885CES1 603/4885
US-20030220505-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 L3MBTL1 3187/4885HSD11B1 507/4885CES1 388/4885
US-20030216580-A1 Preparation of Isoxazolin-3-Ylacylbenzene UQCRB, CYP1B1, CYP2F1 L3MBTL1 2070/4885HSD11B1 877/4885CES1 402/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 L3MBTL1 2147/4885HSD11B1 901/4885CES1 393/4885
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 L3MBTL1 3187/4885HSD11B1 507/4885CES1 388/4885

“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.