SCHEMBL2824607

SCHEMBL2824607

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ATF1 P18846 1/20 0.40
NFKB1 P19838 1/20 0.40
UCHL1 P09936 1/20 0.38
MAPT P10636 3/20 0.36
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
F2 P00734 1/20 0.35
F11 P03951 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35

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
SCHEMBL30963943 1.00 NOTUM (0.41) NOTUMCA12CA1CA2CA7
SCHEMBL14746472 0.87 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6126751 0.86 NOTUM (0.54) NOTUMCA12CA1CA2CA7
SCHEMBL30807714 0.86 NOTUM (0.54) NOTUMCA12CA1CA2CA7
SCHEMBL1857506 0.84 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2825580 0.84 UCHL1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL28429410 0.82 NOTUM (0.36) NOTUMCA1CA2CA9F2
SCHEMBL16559890 0.82 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL20377196 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL22498135 0.81 NOTUM (0.49) NOTUMCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 US disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF NOTUM 2047/4885CA12 57/4885CA1 76/4885

“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.