SCHEMBL7118409

SCHEMBL7118409

CC(C)(C)C(CCc1ccccc1)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PPARA Q07869 1/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA1 P00915 1/20 0.42
CYP19A1 P11511 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAPT P10636 3/20 0.42
NOS2 P35228 1/20 0.41
PKM P14618 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
SCHEMBL7124462 0.89 GAA (0.45) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL7127820 0.86 GHSR (0.43) ALDH1A1L3MBTL1GAACA2CA12
SCHEMBL7127023 0.85 GHSR (0.42) ALDH1A1L3MBTL1GAACA2CA12
SCHEMBL7126170 0.85 F2 (0.46) ALDH1A1L3MBTL1SMN1; SMN2CA2MEN1
SCHEMBL7121674 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2PPARAMAPT
SCHEMBL7125294 0.83 KMT2A (0.58) ALDH1A1L3MBTL1GAACA2MEN1
SCHEMBL6925851 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAASMN1; SMN2PPARA
SCHEMBL7116832 0.75 CA9 (0.39) NPC1RAB9ACA2CA12CA9
SCHEMBL18221866 0.75 CYP19A1 (0.53) ALDH1A1L3MBTL1GAAPPARACA2
SCHEMBL14676346 0.70 CA2 (0.56) ALDH1A1L3MBTL1GAASMN1; SMN2CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583318-B2 Carrying out a four component condensation reaction between components consisting of a sulfonamide, an aldehyde or ketone, an isocyanide and a carboxylic acid, and one of such components being attached to a solid support ADVANCED SYNTECH, LLC 2003-06-24 US disclosed
US-20030013910-A1 Method for synthesis of alpha-sulfonamido amide, carboxylic acid and hydroxamic acid derivatives ADVANCED SYNTECH LLC 2003-01-16 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-20030013910-A1 Method for synthesis of alpha-sulfonamido amide, carboxylic acid and hydroxamic acid derivatives ASPH, COASY, HAAO ALDH1A1 391/4885L3MBTL1 4407/4885GAA 365/4885

“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.