SCHEMBL22044545

SCHEMBL22044545

NC(=O)CCn1cc(CO)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.45
DPP4 P27487 1/20 0.44
CSNK2A1 P68400 1/20 0.40
HDAC1 Q13547 1/20 0.40
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK1 Q13464 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
GGPS1 O95749 2/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
EP300 Q09472 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL30503495 0.82 FFAR1 (0.43) CSNK2A1HDAC1FFAR1GGPS1EP300
SCHEMBL3737019 0.79 ICMT (0.47) NOTUMDPP4CSNK2A1HDAC1FFAR1
SCHEMBL1345911 0.78 DPP4 (0.51) NOTUMDPP4CA12CA1CA2
SCHEMBL19509621 0.77 NOTUM (0.53) NOTUMDPP4L3MBTL1ROCK1CLK4
SCHEMBL21802463 0.76 NOTUM (0.51) NOTUMDPP4L3MBTL1ROCK1CLK4
SCHEMBL22047628 0.76 EPHX2 (0.45) NOTUMHDAC1EP300
SCHEMBL27979131 0.74 GBA1 (0.51) NOTUMDPP4L3MBTL1P2RX7KDM4E
SCHEMBL5654651 0.74 NOTUM (0.50) NOTUMDPP4L3MBTL1P2RX7
SCHEMBL29329316 0.73 NOTUM (0.49) NOTUMDPP4L3MBTL1P2RX7KDM4E
SCHEMBL3730288 0.73 NOTUM (0.49) NOTUMDPP4L3MBTL1P2RX7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 NOTUM 4630/4885DPP4 4480/4885CSNK2A1 3489/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 NOTUM 4630/4885DPP4 4480/4885CSNK2A1 3489/4885

“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.