SCHEMBL26054500

SCHEMBL26054500

CC(C)(C)C(=O)c1ccsc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RORB Q92753 1/20 0.32
PTK2 Q05397 1/20 0.32
LMNA P02545 1/20 0.32
TRPV1 Q8NER1 1/20 0.30
MAPK8 P45983 1/20 0.30

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
SCHEMBL3788448 0.79 PTK2 (0.38) ALDH1A1MAPK1GLAGAAKDM4E
SCHEMBL3961199 0.76 MEN1 (0.44) ALDH1A1MAPK1GLAGAAKDM4E
SCHEMBL14645263 0.74 KMT2A (0.49) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL2436482 0.72 KDM4E (0.53) ALDH1A1MAPK1GLAGAAKDM4E
SCHEMBL26054505 0.72 LMNA (0.40) ALDH1A1MAPK1GLAGAAKDM4E
SCHEMBL29956709 0.70 ABCC1 (0.42) ALDH1A1MAPK1KDM4EHPGDMAPT
SCHEMBL5050107 0.68 CA2 (0.38) ALDH1A1KDM4EMAPTPOLBTDP1
SCHEMBL5951641 0.67 CYP2C19 (0.39) ALDH1A1MAPK1KDM4EMAPTKMT2A
SCHEMBL868397 0.66 MAPT (0.35) MAPT
SCHEMBL17863861 0.66 HCRTR2 (0.44)

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885MAPK1 2092/4885GLA 4206/4885

“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.