SCHEMBL26969716

SCHEMBL26969716

CC(C)(O)c1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.44
NOTUM Q6P988 2/20 0.44
HSD11B1 P28845 4/20 0.44
ALDH1A1 P00352 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.40
NR1I2 O75469 1/20 0.40
RORC P51449 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NPY5R Q15761 7/20 0.39
BRS3 P32247 1/20 0.39
TACR1 P25103 1/20 0.38

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
SCHEMBL26969753 0.89 ACLY (0.41) ACLYNOTUMHSD11B1ALDH1A1HDAC1
SCHEMBL26969780 0.87 ACLY (0.44) ACLYNOTUMNPC1L1NPY5R
SCHEMBL30733401 0.85 NOTUM (0.45) ACLYNOTUMNPY5R
SCHEMBL30733423 0.85 KCNN4 (0.47) ACLYNOTUMALDH1A1
SCHEMBL26969734 0.82 MMP2 (0.44) ACLYNOTUMALDH1A1HDAC1HDAC8
SCHEMBL25238614 0.81 NOTUM (0.42) ACLYNOTUMALDH1A1HDAC1HDAC8
SCHEMBL30733407 0.81 AKR1B1 (0.47) ACLYNOTUMNPY5R
SCHEMBL25285056 0.81 MMP2 (0.43) ACLYNOTUMALDH1A1HDAC1HDAC8
SCHEMBL26969782 0.81 NOTUM (0.41) ACLYNOTUMALDH1A1HDAC1HDAC8
SCHEMBL26969767 0.81 ALDH1A1 (0.49) NOTUMALDH1A1NPY5R

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 ACLY 3265/4885NOTUM 2050/4885HSD11B1 4367/4885

“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.