SCHEMBL22491580

SCHEMBL22491580

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MMP13 P45452 3/20 0.52
STS P08842 6/20 0.52
GPR119 Q8TDV5 2/20 0.47
MEN1 O00255 2/20 0.46
LIMK2 P53671 1/20 0.45
EPHX2 P34913 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SFRP1 Q8N474 1/20 0.42

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
SCHEMBL22491579 1.00 KMT2A (0.53) KMT2AMMP13STSGPR119MEN1
SCHEMBL22773318 0.91 MMP13 (0.55) KMT2AMMP13STSGPR119MEN1
SCHEMBL25260321 0.91 MMP13 (0.55) KMT2AMMP13STSGPR119MEN1
SCHEMBL22773317 0.91 MMP13 (0.55) KMT2AMMP13STSGPR119MEN1
SCHEMBL23211969 0.89 STS (0.52) KMT2AMMP13STSGPR119MEN1
SCHEMBL23211970 0.89 STS (0.52) KMT2AMMP13STSGPR119MEN1
SCHEMBL22491484 0.86 HSD11B1 (0.48) KMT2AMEN1HSD11B1
SCHEMBL22491394 0.86 HSD11B1 (0.48) KMT2AMEN1HSD11B1
SCHEMBL22773217 0.86 STS (0.52) KMT2AMMP13STSGPR119MEN1
SCHEMBL22491577 0.86 STS (0.52) KMT2AMMP13STSGPR119MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
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 (2 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY KMT2A 672/4885MMP13 4265/4885STS 679/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY KMT2A 672/4885MMP13 4265/4885STS 679/4885

“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.