SCHEMBL16455755

SCHEMBL16455755

Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ PKM P14618 1/20 0.50
▸ CNR1 P21554 4/20 0.49
▸ CNR2 P34972 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ BRD2 P25440 1/20 0.47
▸ BRD3 Q15059 1/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL16455682 0.84 POLB (0.56) ALDH1A1SMN1; SMN2CNR2KDM4EKMT2A
SCHEMBL17808299 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PKMCNR1CNR2
SCHEMBL27034140 0.77 MEN1 (0.43) ALDH1A1CNR1CNR2KMT2A
SCHEMBL14206953 0.77 TDP1 (0.56) ALDH1A1SMN1; SMN2PKMCNR1CNR2
SCHEMBL25371356 0.75 KMT2A (0.39) ALDH1A1CNR1CNR2KDM4EKMT2A
SCHEMBL25316623 0.74 THRB (0.38) ALDH1A1CNR1CNR2KMT2ATSHR
SCHEMBL25317998 0.74 THRB (0.38) ALDH1A1CNR1CNR2KMT2ATSHR
SCHEMBL10080556 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4EKMT2ATSHR
SCHEMBL855566 0.74 TSHR (0.47) ALDH1A1SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL2927007 0.73 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2PKMKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 — — US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — US disclosed
WO-2015018432-A1 PYRROLONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 — — 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 (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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 ALDH1A1 300/4885SMN1; SMN2 4478/4885PKM 181/4885

“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.

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