Sugi Predict

Sugi Predict / Compounds / SCHEMBL700365

SCHEMBL700365

SCHEMBL700365

COc1cccc(SC)c1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA4 P22748 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL4311047 0.86 CA1 (0.52) POLBCA1CA2CA7CA9
SCHEMBL71009 0.79 CA1 (0.57) POLBCA1CA2CA7CA9
SCHEMBL30514820 0.79 CA1 (0.57) POLBCA1CA2CA7CA9
SCHEMBL15947051 0.78 CA1 (0.44) POLBCA1CA2CA7CA9
SCHEMBL13696441 0.78 POLB (0.46) POLBCA1CA2CA7CA9
SCHEMBL8425831 0.78 CYP1A2 (0.47) POLBCA1CA2CA7CA9
SCHEMBL18378891 0.78 ALDH1A1 (0.34) SMN1; SMN2HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL2565786 0.77 HSD17B10 (0.59) POLBCA1CA2CA7CA9
SCHEMBL22220767 0.77 POLB (0.45) POLBCA1CA2CA7CA9
SCHEMBL11667685 0.77 NFE2L2 (0.44) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526844-B Synthetic method of topramezone intermediate 2, 3-dimethyl benzylthio-ether 江苏中旗科技股份有限公司 2021-11-12 — — CN disclosed
CN-111848466-A Preparation method of edible essence and spice 新昌县大船畈生物科技有限公司 2020-10-30 — — CN disclosed
CN-109734639-B Preparation method of edible essence and spice 漯河市卫龙生物技术有限公司 2020-10-09 — — 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — 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
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
US-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2002-03-14 — — US disclosed
WO-2001090097-A2 NOVEL COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-11-29 — — WO 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 POLB 1619/4885CA1 1702/4885CA2 2671/4885
US-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPSAB1, ACE POLB 552/4885CA1 3585/4885CA2 2310/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 POLB 4574/4885CA1 3012/4885CA2 1085/4885
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 POLB 1762/4885CA1 1582/4885CA2 1918/4885
US-20030028033-A1 Process and novel intermediates for preparing isoxazolin-3-ylacyl benzenes CYP2F1, CBR3, CBR1 POLB 2771/4885CA1 1182/4885CA2 1450/4885

“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.