SCHEMBL4243790

SCHEMBL4243790

COC(=O)c1ccc(Cl)c(C)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
ABL1 P00519 1/20 0.47
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL29800289 1.00 PTGS2 (0.48) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL10610948 0.86 ABL1 (0.49) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL31636728 0.85 PTGS2 (0.48) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL523584 0.83 ABL1 (0.57) ABL1MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL8492639 0.81 ABL1 (0.45) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL29151120 0.81 ABL1 (0.45) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL8135257 0.81 GAA (0.46) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL1578948 0.81 ABL1 (0.57) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL2264277 0.81 ABL1 (0.53) PTGS2ABL1MAPTSMN1; SMN2NPC1
SCHEMBL29151091 0.81 ABL1 (0.41) PTGS2ABL1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957056-A Process for preparing methyl 3-methyl-2-chloro-4-methylsulfonylbenzoate and intermediates thereof 帕潘纳(北京)科技有限公司 2022-08-30 CN claimed
CN-112409226-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-112409263-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-112174889-B Substituted benzoyl compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2024-01-16 CN disclosed
CN-112142671-B Substituted benzoyl-pyrazoles and application thereof in agriculture 东莞市东阳光农药研发有限公司 2024-01-16 CN disclosed
CN-112300092-B Heterocyclylalkyl-substituted dichlorobenzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2023-06-09 CN disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
CN-114957056-A Process for preparing methyl 3-methyl-2-chloro-4-methylsulfonylbenzoate and intermediates thereof 帕潘纳(北京)科技有限公司 2022-08-30 CN disclosed
CN-114957056-A Process for preparing methyl 3-methyl-2-chloro-4-methylsulfonylbenzoate and intermediates thereof 帕潘纳(北京)科技有限公司 2022-08-30 CN disclosed
US-7112554-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2006-09-26 US disclosed
EP-1611098-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004089897-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-10-21 WO disclosed
US-20040176253-A1 Substitued arylketones BAYER CROPSCIENCE AG (DE) 2004-09-09 US disclosed
US-6576596-B1 Compatible with crop plants BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-6372693-B1 AGRICULTURAL HERBICIDES FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2002-04-16 US disclosed
US-6310245-B1 FOR CONTROLLING UNDESIRABLE VEGETATION; CROP PROTECTION BASF AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed
US-6143696-A FOR CROP PROTECTION; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
US-6133468-A BROMINATION OF SUBSTITUTED TOLUENES WITH A BROMINATING AGENT SELECTED FROM THE GROUP CONSISTING OF BROMINE, BROMINE SALTS AND HYDROGEN BROMIDE, IN THE PRESENCE OF AN AZO CARBONITRILE OR OF AN AZO CARBOXYLIC ESTER BASF AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
US-6028035-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US 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-20040176253-A1 Substitued arylketones CYP1B1, CYP1A1, CYP2E1 PTGS2 3744/4885ABL1 132/4885MAPT 3749/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 PTGS2 467/4885ABL1 1932/4885MAPT 4257/4885

“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.