SCHEMBL25276342

SCHEMBL25276342

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CCCCC3)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL29387287 1.00 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19TP53
SCHEMBL26969782 0.89 NOTUM (0.41) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL25238614 0.88 NOTUM (0.42) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL29387124 0.84 HTR6 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL25232753 0.84 HTR6 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL26969745 0.82 HDAC1 (0.41)
SCHEMBL26969707 0.81 TSHR (0.38) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL29703821 0.81 NR1H3 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19TP53
SCHEMBL25279584 0.78 ACLY (0.53) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL26969779 0.78 NOTUM (0.40) CYP3A4CYP2D6CYP2C9CYP2C19TP53

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-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP 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-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 CYP3A4 2481/4885CYP2D6 2369/4885CYP2C9 3103/4885

“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.