SCHEMBL22386752

SCHEMBL22386752

COCCOc1ccc(C(=O)C(C)(C)C)cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
EGFR P00533 5/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
BTK Q06187 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
PDE4D Q08499 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 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
SCHEMBL22837047 0.86 THRA (0.43) HTTKMT2ARAB9ALMNAMAPK1
SCHEMBL22968488 0.84 THRA (0.45) HTTKMT2ARAB9ALMNAMAPK1
SCHEMBL22386748 0.84 TSHR (0.50) HTTKDM4EKMT2AHPGDMAPK1
SCHEMBL20463365 0.84 HTT (0.49) HTTKDM4EKMT2AHPGDALDH1A1
SCHEMBL2590444 0.84 HTT (0.66) HTTKDM4EKMT2ARAB9ALMNA
SCHEMBL25315062 0.82 MAPT (0.50) HTTKDM4EKMT2AHPGDALDH1A1
SCHEMBL20463473 0.82 EGFR (0.47) HTTKDM4EKMT2AHPGDALDH1A1
SCHEMBL30151541 0.82 MAPK1 (0.50) HTTKDM4EKMT2AHPGDALDH1A1
SCHEMBL13543199 0.82 HTT (0.67) HTTKMT2AALDH1A1RAB9ALMNA
SCHEMBL25180902 0.81 THRA (0.51) HTTKDM4EKMT2AHPGDALDH1A1

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-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 US disclosed
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-09-03 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-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 HTT 3222/4885KDM4E 732/4885KMT2A 2071/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 HTT 3222/4885KDM4E 732/4885KMT2A 2071/4885

“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.