SCHEMBL26969709

SCHEMBL26969709

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.43
CYP2D6 P10635 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.38
CD4 P01730 1/20 0.38
SORT1 Q99523 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL25238614 0.82 NOTUM (0.42) CYP2D6ALDH1A1LMNAGAACYP3A4
SCHEMBL26969713 0.81 TACR1 (0.43) GAA
SCHEMBL26969782 0.81 NOTUM (0.41) CYP2D6ALDH1A1LMNAGAACYP3A4
SCHEMBL25234751 0.80 MEN1 (0.38) TSHRMEN1LMNAL3MBTL1KDM4E
SCHEMBL26969745 0.79 HDAC1 (0.41) TSHR
SCHEMBL25279584 0.79 ACLY (0.53) CYP2D6TSHRLMNAGAACYP3A4
SCHEMBL25231173 0.79 NPY5R (0.38) ALDH1A1
SCHEMBL26969766 0.79 NPY5R (0.38) ALDH1A1GAA
SCHEMBL25232157 0.78 NPY5R (0.41) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL26969707 0.78 TSHR (0.38) CYP2D6TSHRALDH1A1GAACYP3A4

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-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 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-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 CXCR4 2990/4885CYP2D6 2369/4885USP2 4313/4885

“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.