SCHEMBL3300694

SCHEMBL3300694

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2cc(N3CCOCC3)ccn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
S1PR1 P21453 1/20 0.32
EPHB4 P54760 3/20 0.32
PIK3CA P42336 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD9 Q9H8M2 2/20 0.30
BAZ2B Q9UIF8 2/20 0.30
CCR9 P51686 1/20 0.30
HTR2C P28335 1/20 0.30
TTBK1 Q5TCY1 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL3297345 0.90 ACLY (0.36) ACLYS1PR1MAPTGAAMAPK1
SCHEMBL3298548 0.90 DGAT1 (0.33)
SCHEMBL3302802 0.89 ACLY (0.40) ACLYS1PR1MAPTGAAMAPK1
SCHEMBL3298201 0.89 SMN1; SMN2 (0.34) PIK3CAMAPK1SMN1; SMN2
SCHEMBL3295496 0.89 CCR9 (0.35) ACLYPIK3CAMAPTSMN1; SMN2CCR9
SCHEMBL3301412 0.88 KDM4E (0.36) ACLYL3MBTL1CCR9
SCHEMBL3298932 0.86 IRAK4 (0.31)
SCHEMBL3301125 0.85 ROCK1 (0.34) CCR9
SCHEMBL3297377 0.85 ROCK1 (0.32)
SCHEMBL3302071 0.85 IRAK4 (0.32)

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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ACLY 297/4885S1PR1 2168/4885EPHB4 3888/4885

“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.