SCHEMBL21293596

SCHEMBL21293596

CCOC(=O)CCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ LIPG Q9Y5X9 5/20 0.36
▸ LPL P06858 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL23287138 0.86 SMN1; SMN2 (0.43) DGAT1GSK3AGSK3BUCHL1LIPG
SCHEMBL16737528 0.79 CYP4F2 (0.42) DGAT1GSK3AGSK3BCYP4F2CYP4A11
SCHEMBL67865 0.78 LIPG (0.59) CYP4F2CYP4A11UCHL1LIPGLPL
SCHEMBL2182388 0.78 DGAT1 (0.42) DGAT1GSK3AGSK3BUCHL1SMN1; SMN2
SCHEMBL28697197 0.78 DGAT1 (0.43) DGAT1GSK3AGSK3BUCHL1LIPG
SCHEMBL2181713 0.77 DGAT1 (0.39) DGAT1GSK3AGSK3BUCHL1LIPG
SCHEMBL18274843 0.75 DGAT1 (0.47) DGAT1GSK3AGSK3BUCHL1LIPG
SCHEMBL4206551 0.75 DGAT1 (0.49) DGAT1GSK3AGSK3BUCHL1LIPG
SCHEMBL15298112 0.74 FFAR1 (0.52) DGAT1GSK3AGSK3BUCHL1SMN1; SMN2
SCHEMBL22845610 0.74 DGAT1 (0.58) DGAT1GSK3AGSK3BUCHL1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 — — US disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 — — US disclosed
EP-3535255-A1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 — — EP disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 — — US disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 — — US 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-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA DGAT1 4880/4885GSK3A 1115/4885GSK3B 761/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA DGAT1 4880/4885GSK3A 1115/4885GSK3B 761/4885

“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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