SCHEMBL30733407

SCHEMBL30733407

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.47
KDM2B Q8NHM5 2/20 0.43
ACLY P53396 1/20 0.43
NOTUM Q6P988 2/20 0.42
POLB P06746 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTR6 P50406 1/20 0.38
NPY5R Q15761 7/20 0.38
NOD1 Q9Y239 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL30733398 0.88 ACLY (0.43) AKR1B1ACLYNOTUMCYP3A4CYP2D6
SCHEMBL30733427 0.86 ACLY (0.42) AKR1B1ACLYNOTUMCYP3A4CYP2D6
SCHEMBL30733423 0.86 KCNN4 (0.47) AKR1B1ACLYNOTUMPOLB
SCHEMBL30733401 0.86 NOTUM (0.45) ACLYNOTUMCYP3A4CYP2D6NPY5R
SCHEMBL26969734 0.83 MMP2 (0.44) AKR1B1ACLYNOTUMCYP3A4CYP2D6
SCHEMBL25238614 0.82 NOTUM (0.42) ACLYNOTUMPOLBCYP3A4CYP2D6
SCHEMBL25285056 0.82 MMP2 (0.43) AKR1B1ACLYNOTUMCYP3A4CYP2D6
SCHEMBL26969767 0.81 ALDH1A1 (0.49) NOTUMNPY5R
SCHEMBL26969716 0.81 ACLY (0.44) ACLYNOTUMNPY5R
SCHEMBL26969782 0.81 NOTUM (0.41) ACLYNOTUMCYP3A4CYP2D6NPY5R

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 AKR1B1 3537/4885KDM2B 3104/4885ACLY 3265/4885

“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.