SCHEMBL26969734

SCHEMBL26969734

O=S(=O)(c1ccc(Br)cc1)N1CC2(CCCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
AKR1B1 P15121 2/20 0.44
ACLY P53396 1/20 0.42
NOTUM Q6P988 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 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
NPY5R Q15761 3/20 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
SCHEMBL25285056 0.99 MMP2 (0.43) MMP2AKR1B1ACLYNOTUML3MBTL1
SCHEMBL30733423 0.86 KCNN4 (0.47) MMP2AKR1B1ACLYNOTUML3MBTL1
SCHEMBL30733401 0.86 NOTUM (0.45) ACLYNOTUMCYP3A4CYP2D6CYP2C9
SCHEMBL30733398 0.83 ACLY (0.43) AKR1B1ACLYNOTUMHDAC1HDAC8
SCHEMBL30733434 0.83 LMNA (0.41) ACLYNOTUMHDAC1HDAC8HDAC6
SCHEMBL25238614 0.83 NOTUM (0.42) ACLYNOTUMALDH1A1HDAC1HDAC8
SCHEMBL30733407 0.83 AKR1B1 (0.47) AKR1B1ACLYNOTUMCYP3A4CYP2D6
SCHEMBL30412987 0.82 ACLY (0.42) ACLYNOTUMALDH1A1HDAC1HDAC8
SCHEMBL30733427 0.82 ACLY (0.42) AKR1B1ACLYNOTUMHDAC1HDAC8
SCHEMBL26969782 0.82 NOTUM (0.41) ACLYNOTUMALDH1A1HDAC1HDAC8

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 MMP2 4650/4885AKR1B1 3537/4885ACLY 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.