SCHEMBL26969723

SCHEMBL26969723

CC(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CCN(C(=O)OCc4ccccc4)CC3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPC1L1 Q9UHC9 1/20 0.50
GHSR Q92847 1/20 0.47
NPY5R Q15761 1/20 0.47
P2RY1 P47900 1/20 0.46

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
SCHEMBL26969731 0.91 HDAC1 (0.53) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL25236263 0.88 HDAC1 (0.53) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL2878354 0.84 TACR1 (0.68) TACR1HDAC1HDAC8HDAC6GHSR
SCHEMBL25281390 0.83 TACR1 (0.48) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL26969718 0.82 HDAC1 (0.49) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL25274279 0.82 NPC1L1 (0.53) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL26969762 0.82 TACR1 (0.46) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL26969756 0.82 P2RY1 (0.49) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL26969700 0.81 HDAC1 (0.46) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL25274492 0.81 HDAC1 (0.57) TACR1HDAC1HDAC8HDAC6NPC1L1

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 TACR1 398/4885HDAC1 2067/4885HDAC8 1532/4885

“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.