SCHEMBL21099998

SCHEMBL21099998

CCc1cccc2[nH]c(=O)oc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGT O15294 1/20 0.46
F2 P00734 1/20 0.43
CFD P00746 1/20 0.43
DAO P14920 2/20 0.42
DDO Q99489 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
NPEPPS P55786 1/20 0.40
DRD2 P14416 6/20 0.39
HTR1A P08908 5/20 0.39
PTDSS1 P48651 1/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOTUM Q6P988 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL23790624 0.84 GABRA1 (0.43) OGTF2CFDGABRA1GABRB2
SCHEMBL27610690 0.84 MCL1 (0.43) OGTPTDSS1
SCHEMBL5542039 0.84 OGT (0.44) OGTF2CFDDRD2HTR1A
SCHEMBL16172349 0.84 F2 (0.46) OGTF2CFDDAODDO
SCHEMBL21334472 0.83 OGT (0.41) OGTF2CFDDRD2HTR1A
SCHEMBL27039073 0.82 SLC6A2 (0.43) OGTF2CFDDRD2HTR1A
SCHEMBL5546637 0.81 OGT (0.42) OGTF2CFDDRD2HTR1A
SCHEMBL4509421 0.79 F2 (0.49) OGTF2CFDDAODDO
SCHEMBL434293 0.79 OGT (0.50) OGTF2CFDDAODDO
SCHEMBL5541370 0.78 OGT (0.40) OGTF2CFDDRD2HTR1A

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 OGT 3461/4885F2 1369/4885CFD 2234/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS OGT 2963/4885F2 1898/4885CFD 822/4885

“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.