SCHEMBL22491577

SCHEMBL22491577

COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.52
KMT2A Q03164 2/20 0.50
MMP13 P45452 5/20 0.48
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
GPR119 Q8TDV5 1/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
MMP7 P09237 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP2 P08253 2/20 0.43
ALOX12 P18054 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
SCHEMBL29734431 1.00 STS (0.52) STSKMT2AMMP13PDE4APDE4B
SCHEMBL22773217 1.00 STS (0.52) STSKMT2AMMP13PDE4APDE4B
SCHEMBL21382061 0.88 LMNA (0.45) KMT2AEPHX2MEN1ALOX12
SCHEMBL21382060 0.88 LMNA (0.45) KMT2AEPHX2MEN1ALOX12
SCHEMBL22491580 0.86 KMT2A (0.53) STSKMT2AMMP13GPR119EPHX2
SCHEMBL22491579 0.86 KMT2A (0.53) STSKMT2AMMP13GPR119EPHX2
SCHEMBL25260321 0.86 MMP13 (0.55) STSKMT2AMMP13GPR119EPHX2
SCHEMBL22773317 0.86 MMP13 (0.55) STSKMT2AMMP13GPR119EPHX2
SCHEMBL22773318 0.86 MMP13 (0.55) STSKMT2AMMP13GPR119EPHX2
SCHEMBL23211970 0.84 STS (0.52) STSKMT2AMMP13GPR119EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US 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 (4 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC STS 388/4885KMT2A 2681/4885MMP13 663/4885
US-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY STS 679/4885KMT2A 672/4885MMP13 4265/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC STS 388/4885KMT2A 2681/4885MMP13 663/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY STS 679/4885KMT2A 672/4885MMP13 4265/4885

“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.