SCHEMBL26501740

SCHEMBL26501740

Cc1ccc(CS(=O)(=O)c2ccc(C(C)CO)cc2)nn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
ABCB11 O95342 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RCE1 Q9Y256 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL26501738 0.86 TAAR1 (0.37) ALDH1A1HPGDLMNAL3MBTL1KDM4E
SCHEMBL26501733 0.86 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL26501716 0.83 ABCB11 (0.32) ABCB11KMT2AESR1ESR2
SCHEMBL26501736 0.82 ALDH1A1 (0.37) ALDH1A1HPGDLMNAL3MBTL1KDM4E
SCHEMBL26501737 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL26501655 0.74 DHFR (0.35) ALDH1A1ABCB11KMT2AMEN1LMNA
SCHEMBL26501734 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL29200077 0.74 GAA (0.47) ALDH1A1ABCB11KMT2AMEN1KDM4E
SCHEMBL17720261 0.74 GAA (0.47) ALDH1A1ABCB11KMT2AMEN1KDM4E
SCHEMBL26501795 0.74 RAB9A (0.35) ABCB11LMNAL3MBTL1ESR1ESR2

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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 ALDH1A1 715/4885ABCB11 872/4885KMT2A 1296/4885

“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.