SCHEMBL22491504

SCHEMBL22491504

CS(=O)(=O)c1cccc(C(=C2CCN(C(=O)O)CC2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ AKR1C3 P42330 4/20 0.43
▸ AKR1C1 Q04828 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ IL1RN P18510 1/20 0.40
▸ KRAS P01116 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL21381608 0.92 FNTA (0.50) SETD7ALDH1A1GAAHSD17B10FNTA
SCHEMBL22773331 0.88 SETD7 (0.50) SETD7FNTAFNTBAKR1C3AKR1C1
SCHEMBL21381728 0.87 VNN1 (0.46) ALDH1A1FNTAFNTBOPRD1SMN1; SMN2
SCHEMBL29734566 0.85 GPR119 (0.54) —
SCHEMBL22491548 0.85 GPR119 (0.54) —
SCHEMBL22491524 0.80 OPRM1 (0.50) ALDH1A1GAAHSD17B10OPRD1SMN1; SMN2
SCHEMBL23211871 0.77 GPR119 (0.51) FNTAFNTB
SCHEMBL30567986 0.77 GPR119 (0.51) FNTAFNTB
SCHEMBL22491409 0.74 SETD7 (0.50) SETD7FNTAFNTBOPRD1LMNA
SCHEMBL23212048 0.73 GPR119 (0.49) —

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
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — 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-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY SETD7 1281/4885ALDH1A1 231/4885GAA 832/4885

“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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