SCHEMBL24489983

SCHEMBL24489983

C=CC(=O)N1Cc2ccc(Oc3ccc(/C=C/C(=O)N4Cc5ccc(Oc6ccccc6)cc5[C@@H](c5ccccc5)C4)cc3)cc2[C@H](c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR183 P32249 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BTK Q06187 8/20 0.38

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
SCHEMBL22461454 0.92 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3BTK
SCHEMBL22461450 0.92 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3BTK
SCHEMBL22460910 0.84 SLC6A2 (0.41) NPC1SLC6A2SLC6A4SLC6A3BTK
SCHEMBL24489979 0.83 BTK (0.39) SLC6A2SLC6A4SLC6A3BTK
SCHEMBL22461455 0.83 BTK (0.44) SLC6A2SLC6A4SLC6A3BTK
SCHEMBL22461190 0.83 BTK (0.44) SLC6A2SLC6A4SLC6A3BTK
SCHEMBL24489998 0.82 SLC6A2 (0.62) MAPTALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL22461555 0.82 SLC6A2 (0.62) MAPTALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL24490161 0.81 ESR1 (0.44) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL24490216 0.77 KIF11 (0.47) MAPTALDH1A1SLC6A2SLC6A4SLC6A3

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 1 patent. 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

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 MAPT 2442/4885ALDH1A1 1950/4885NPC1 2611/4885

“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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