SCHEMBL29979154

SCHEMBL29979154

COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(N2CCC(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 5/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 5/20 0.44
HPGD P15428 1/20 0.43
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
MCOLN2 Q8IZK6 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
SQSTM1 Q13501 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MCOLN1 Q9GZU1 1/20 0.41

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
SCHEMBL23057150 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL23057183 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAMCOLN2
SCHEMBL29979147 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAMCOLN2
SCHEMBL23057145 0.82 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL29979144 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL23057187 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL23057226 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL23057334 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL24871275 0.79 L3MBTL1 (0.55) ALDH1A1MAPTLMNAHPGDMCOLN2
SCHEMBL29978639 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 ALDH1A1 1368/4885SMN1; SMN2 41/4885MAPT 3427/4885

“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.