SCHEMBL26969743

SCHEMBL26969743

O=S(=O)(c1ccc2c(c1)OC1(CCC1)O2)N1CC2(CCCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NOTUM Q6P988 1/20 0.38
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 3/20 0.35
PKLR P30613 2/20 0.34
NPY5R Q15761 10/20 0.33

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
SCHEMBL26969764 0.91 ACLY (0.41) ACLYCNR1MEN1ALDH1A1KMT2A
SCHEMBL25276068 0.78 KMT2A (0.43) ACLYMEN1ALDH1A1KMT2ANOTUM
SCHEMBL25280230 0.78 ACLY (0.40) ACLYMEN1ALDH1A1KMT2ANOTUM
SCHEMBL30733423 0.76 KCNN4 (0.47) ACLYALDH1A1KMT2ANOTUMGAA
SCHEMBL30733401 0.76 NOTUM (0.45) ACLYNOTUMNPY5R
SCHEMBL26969734 0.76 MMP2 (0.44) ACLYMEN1ALDH1A1KMT2ANOTUM
SCHEMBL29386556 0.75 MEN1 (0.54) ACLYMEN1ALDH1A1KMT2ANOTUM
SCHEMBL25281852 0.75 MEN1 (0.54) ACLYMEN1ALDH1A1KMT2ANOTUM
SCHEMBL30733405 0.75 TSHR (0.50) ACLYMEN1ALDH1A1KMT2ANOTUM
SCHEMBL30733408 0.75 KMT2A (0.43) ACLYKMT2ANOTUMMAPTMAPK1

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 3265/4885CNR1 155/4885MEN1 782/4885

“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.