SCHEMBL3302802

SCHEMBL3302802

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2ccc(N3CCOCC3)cc2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.40
MAPT P10636 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
S1PR1 P21453 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP12 P39900 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DGAT1 O75907 1/20 0.32
HTR2C P28335 2/20 0.32
HTR6 P50406 2/20 0.32
RORC P51449 1/20 0.32
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3299623 0.91 RAPGEF3 (0.37) ACLYSMN1; SMN2HTR6
SCHEMBL3297345 0.91 ACLY (0.36) ACLYMAPTSMN1; SMN2GAAMAPK1
SCHEMBL3300694 0.89 ACLY (0.36) ACLYMAPTSMN1; SMN2GAAMAPK1
SCHEMBL3301412 0.89 KDM4E (0.36) ACLYL3MBTL1KMT2APKM
SCHEMBL3295496 0.88 CCR9 (0.35) ACLYMAPTSMN1; SMN2ALDH1A1DGAT1
SCHEMBL3301386 0.85 DGAT1 (0.33) DGAT1HTR6
SCHEMBL3366649 0.84 ITGA4 (0.35) ACLYHTR2CHTR6KMT2AHPGD
SCHEMBL3305126 0.83 DGAT1 (0.37) DGAT1
SCHEMBL3298942 0.83 DGAT1 (0.33) DGAT1
SCHEMBL3298201 0.83 SMN1; SMN2 (0.34) SMN1; SMN2MAPK1ALDH1A1KMT2AHPGD

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 297/4885MAPT 947/4885SMN1; SMN2 2493/4885

“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.