SCHEMBL16320747

SCHEMBL16320747

CS(=O)(=O)c1c[c]c2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.33
NPBWR1 P48145 1/20 0.33
ENPP2 Q13822 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL8388156 0.81 LMNA (0.53) LMNA
SCHEMBL1767004 0.81 TSHR (0.43) L3MBTL1LMNA
SCHEMBL17289181 0.77 ALDH1A1 (0.39) L3MBTL1LMNA
SCHEMBL249377 0.77 KEAP1 (0.48) PTGS2ATMLMNA
SCHEMBL2536687 0.76 PTGS2 (0.41) PTGS2ATML3MBTL1LMNANPBWR1
SCHEMBL758323 0.70 ATM (0.66) PTGS2ATML3MBTL1LMNAAKR1C3
SCHEMBL458019 0.70 CYP2A6 (0.44) LMNA
SCHEMBL9720823 0.70 CYP2A6 (0.44) LMNA
SCHEMBL4463780 0.69 TSHR (0.39) L3MBTL1
SCHEMBL2314445 0.69 MAPT (0.35) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408392-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-08-09 US disclosed
US-20140378461-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 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 (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-20140378461-A1 NOVEL COMPOUNDS CYP1B1, DDT, CYP51A1 PTGS2 2402/4885ATM 4810/4885L3MBTL1 759/4885

“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.