SCHEMBL22460971

SCHEMBL22460971

C=CC(=O)Nc1cccc([C@H]2CN(C(=O)C=C)Cc3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 4/20 0.41
▸ CCNK O75909 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ F13A1 P00488 2/20 0.38
▸ TGM1 P22735 2/20 0.38
▸ TGM3 Q08188 1/20 0.38
▸ KIF11 P52732 5/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ PARP14 Q460N5 2/20 0.37
▸ TNKS O95271 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 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
SCHEMBL22460891 1.00 TGM2 (0.41) TGM2CCNKCCNA2CDK2CDK7
SCHEMBL24490303 0.83 KIF11 (0.54) ESR1ESR2KIF11SLC6A2SLC6A4
SCHEMBL22460923 0.83 KIF11 (0.54) ESR1ESR2KIF11SLC6A2SLC6A4
SCHEMBL22461197 0.83 SLC6A2 (0.52) ESR1ESR2KIF11SLC6A2SLC6A4
SCHEMBL22461286 0.83 SLC6A2 (0.52) ESR1ESR2KIF11SLC6A2SLC6A4
SCHEMBL24490249 0.80 KIF11 (0.41) ESR1ESR2KIF11SLC6A2SLC6A4
SCHEMBL22460902 0.80 KIF11 (0.53) KIF11SLC6A2SLC6A4SLC6A3
SCHEMBL24490248 0.80 KIF11 (0.41) ESR1ESR2KIF11SLC6A2SLC6A4
SCHEMBL22460919 0.80 KIF11 (0.53) KIF11SLC6A2SLC6A4SLC6A3
SCHEMBL24490161 0.76 ESR1 (0.44) ESR1ESR2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086194-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER Suvalent Therapeutics, Inc. (US) 2024-04-25 — — WO disclosed
US-20220177488-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF CIT THERAPEUTICS LLC 2022-06-09 — — US disclosed
WO-2020191151-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF ONCOVALENT THERAPEUTICS INC. (US) 2020-09-24 — — WO 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-20220177488-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF SUMO1, SUMO2, SUMO3 TGM2 2181/4885CCNK 1430/4885CCNA2 1405/4885

“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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