SCHEMBL22461555

SCHEMBL22461555

C=CC(=O)N1Cc2ccc(OC)cc2[C@H](c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.62
▸ SLC6A4 P31645 4/20 0.62
▸ SLC6A3 Q01959 4/20 0.62
▸ KIF11 P52732 3/20 0.48
▸ RYR2 Q92736 1/20 0.48
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TET3 O43151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FBXL19 Q6PCT2 1/20 0.41
▸ CXXC5 Q7LFL8 1/20 0.41
▸ TET1 Q8NFU7 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ CXXC4 Q9H2H0 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL24489998 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3KIF11RYR2
SCHEMBL24490097 0.91 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3KIF11RYR2
SCHEMBL24490020 0.91 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3KIF11RYR2
SCHEMBL18085053 0.89 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3RYR2CYP3A4
SCHEMBL22461450 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL22461454 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL22460919 0.86 KIF11 (0.53) SLC6A2SLC6A4SLC6A3KIF11RYR2
SCHEMBL22460902 0.86 KIF11 (0.53) SLC6A2SLC6A4SLC6A3KIF11RYR2
SCHEMBL24490210 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KIF11CYP2D6
SCHEMBL22461277 0.83 KIF11 (0.45) SLC6A2SLC6A4SLC6A3KIF11CYP2D6

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-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 SLC6A2 4575/4885SLC6A4 4468/4885SLC6A3 4462/4885

“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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