SCHEMBL30733401

SCHEMBL30733401

CS(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
ACLY P53396 1/20 0.42
NPY5R Q15761 15/20 0.42
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL30733423 0.89 KCNN4 (0.47) NOTUMACLY
SCHEMBL25278918 0.88 NPY5R (0.42) NOTUMACLYNPY5R
SCHEMBL26969767 0.87 ALDH1A1 (0.49) NOTUMNPY5R
SCHEMBL26969734 0.86 MMP2 (0.44) NOTUMACLYNPY5RCYP3A4CYP2D6
SCHEMBL30733407 0.86 AKR1B1 (0.47) NOTUMACLYNPY5RCYP3A4CYP2D6
SCHEMBL25238614 0.86 NOTUM (0.42) NOTUMACLYNPY5RCYP3A4CYP2D6
SCHEMBL25285056 0.85 MMP2 (0.43) NOTUMACLYNPY5RCYP3A4CYP2D6
SCHEMBL25438112 0.85 NPY5R (0.42) ACLYNPY5R
SCHEMBL26969782 0.85 NOTUM (0.41) NOTUMACLYNPY5RCYP3A4CYP2D6
SCHEMBL26969716 0.85 ACLY (0.44) NOTUMACLYNPY5R

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 NOTUM 2050/4885ACLY 3265/4885NPY5R 681/4885

“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.