SCHEMBL3301653

SCHEMBL3301653

Cc1n[nH]c2ccc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LRRK2 Q5S007 1/20 0.34
HSD11B1 P28845 2/20 0.32
MAPK1 P28482 1/20 0.32
ACLY P53396 1/20 0.32
ITGA4 P13612 1/20 0.31
JAK2 O60674 1/20 0.31
S1PR1 P21453 1/20 0.31
DYRK1A Q13627 2/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL3299041 0.83 KDM4E (0.39) ALDH1A1HSD11B1TP53POLB
SCHEMBL3302816 0.83 MGAM (0.35) HSD11B1POLB
SCHEMBL3297160 0.82 MGAM (0.34) HSD11B1ACLYPOLB
SCHEMBL3297369 0.81 S1PR1 (0.44) S1PR1DYRK1A
SCHEMBL3298532 0.80 MGAM (0.33) HSD11B1POLB
SCHEMBL3305698 0.80 PTGS2 (0.38) ALDH1A1HSD11B1ITGA4
SCHEMBL3300940 0.80 HTR6 (0.41) ALDH1A1
SCHEMBL3303945 0.79 MMP7 (0.35) HSD11B1
SCHEMBL3300480 0.79 PTGS2 (0.37) HSD11B1ACLY
SCHEMBL2843641 0.79 KEAP1 (0.46) ALDH1A1TP53

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 ALDH1A1 1848/4885LRRK2 843/4885HSD11B1 581/4885

“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.