SCHEMBL30733427

SCHEMBL30733427

O=S(=O)(c1ccc(C(F)F)cc1)N1CC2(CCCCC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
NOTUM Q6P988 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
NPY5R Q15761 5/20 0.35
AKR1B1 P15121 1/20 0.34
GNRHR P30968 1/20 0.34
TSHR P16473 1/20 0.34

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 0.99 ACLY (0.43) ACLYNOTUMHDAC1HDAC8HDAC6
SCHEMBL25231978 0.90 ACLY (0.40) ACLYCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL26969776 0.89 ACLY (0.41) ACLYNOTUMCYP3A4CYP2D6CYP2C9
SCHEMBL25237936 0.89 ACLY (0.41) ACLYNOTUMCYP3A4CYP2D6CYP2C9
SCHEMBL25237931 0.88 ACLY (0.41) ACLYCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30733407 0.86 AKR1B1 (0.47) ACLYNOTUMCYP3A4CYP2D6CYP2C9
SCHEMBL30733425 0.86 CYP3A4 (0.43) ACLYCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25274911 0.85 NPY5R (0.43) NPY5RGNRHR
SCHEMBL25274228 0.84 NPY5R (0.46) ACLYNOTUMNPY5RGNRHR
SCHEMBL25285056 0.84 MMP2 (0.43) ACLYNOTUMHDAC1HDAC8HDAC6

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 2050/4885HDAC1 2067/4885

“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.