SCHEMBL3835239

SCHEMBL3835239

Cc1c(Cl)[c]ccc1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.32
EPAS1 Q99814 2/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
CCR2 P41597 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
SCHEMBL10936449 0.82 MYC (0.33) ALDH1A1
SCHEMBL1967430 0.82 PTGS2 (0.32) L3MBTL1PTGS2KDM4EALDH1A1RAB9A
SCHEMBL8679951 0.79 L3MBTL1 (0.35) L3MBTL1ALDH1A1
SCHEMBL27933853 0.76 L3MBTL1 (0.33) L3MBTL1HSD11B1CCR2
SCHEMBL8376884 0.76 PTGS2 (0.36) L3MBTL1HSD11B1PTGS2KDM4EALDH1A1
SCHEMBL8679937 0.74 CCR2 (0.32) PTGS2CCR2
SCHEMBL1045997 0.73 RAB9A (0.37) L3MBTL1HSD11B1PTGS2KDM4EALDH1A1
SCHEMBL8679941 0.72 L3MBTL1 (0.31) L3MBTL1
SCHEMBL8682887 0.71 KIF11 (0.35) PTGS2
SCHEMBL8679094 0.71 TRPV4 (0.32) RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501361-B1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF SE (DE) 2009-09-30 EP disclosed
US-7381687-B2 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2008-06-03 US disclosed
US-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-5834404-A Substituted bicycloheptanedione derivative and herbicide NIPPON SODA CO., LTD. (JP) 1998-11-10 US disclosed
CN-1162953-A Substituted bicycloheptanedione derivatives and herbicides NIPPON SODA CO (JP) 1997-10-22 CN disclosed
EP-0791572-A1 SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-08-27 EP 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 (1 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-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides CBR3, DDT, CYP4X1 L3MBTL1 1313/4885HSD11B1 2475/4885EPAS1 3677/4885

“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.