SCHEMBL22491394

SCHEMBL22491394

Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL22491484 1.00 HSD11B1 (0.48) HSD11B1TDP1KMT2AGAAL3MBTL1
SCHEMBL22491385 0.90 POLB (0.45) KMT2AGAAALDH1A1POLBLMNA
SCHEMBL22491388 0.90 POLB (0.45) KMT2AGAAALDH1A1POLBLMNA
SCHEMBL23211799 0.90 POLB (0.45) KMT2AGAAALDH1A1POLBLMNA
SCHEMBL21385346 0.88 PTGS2 (0.46) KMT2AGAAALDH1A1POLBLMNA
SCHEMBL21385345 0.88 PTGS2 (0.46) KMT2AGAAALDH1A1POLBLMNA
SCHEMBL22491580 0.86 KMT2A (0.53) HSD11B1KMT2AMEN1
SCHEMBL22491579 0.86 KMT2A (0.53) HSD11B1KMT2AMEN1
SCHEMBL21382061 0.83 LMNA (0.45) KMT2AGAAL3MBTL1ALDH1A1POLB
SCHEMBL21382060 0.83 LMNA (0.45) KMT2AGAAL3MBTL1ALDH1A1POLB

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 HSD11B1 1138/4885TDP1 2782/4885KMT2A 672/4885

“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.