SCHEMBL26969739

SCHEMBL26969739

O=S(=O)(Cc1ccc2c(c1)COCC2)N1CC2(CCCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.40
NPY5R Q15761 4/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TACR1 P25103 8/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
NOTUM Q6P988 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
SCHEMBL30733430 0.79 TSHR (0.49) ACLYNPY5RMEN1ALDH1A1POLB
SCHEMBL26969719 0.78 TSHR (0.48) ACLYNPY5RMEN1ALDH1A1POLB
SCHEMBL30733438 0.78 NPY5R (0.44) ACLYNPY5RMEN1ALDH1A1POLB
SCHEMBL30733400 0.78 NPY5R (0.44) ACLYNPY5RMEN1ALDH1A1POLB
SCHEMBL30733413 0.77 TACR1 (0.46) ACLYNPY5RMEN1ALDH1A1POLB
SCHEMBL30733443 0.77 TACR1 (0.45) ACLYNPY5RMEN1ALDH1A1POLB
SCHEMBL26969746 0.77 TACR1 (0.45) ACLYNPY5RHDAC1HDAC8HDAC6
SCHEMBL26969754 0.75 HDAC1 (0.48) NPY5RMEN1ALDH1A1POLBMAPT
SCHEMBL26969765 0.75 NPY5R (0.40) ACLYNPY5RMEN1ALDH1A1POLB
SCHEMBL25274233 0.71 MEN1 (0.51) NPY5RMEN1ALDH1A1POLBMAPT

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 3265/4885NPY5R 681/4885MEN1 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.