SCHEMBL3299041

SCHEMBL3299041

Cc1[nH]c2ccc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 4/20 0.39
HCRTR1 O43613 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSD11B1 P28845 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
P2RX3 P56373 1/20 0.32
PTGS2 P35354 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL3302816 0.84 MGAM (0.35) HPGDHSD11B1POLB
SCHEMBL3301653 0.83 ALDH1A1 (0.36) ALDH1A1HSD11B1TP53POLB
SCHEMBL3297160 0.83 MGAM (0.34) HPGDMAPTHSD11B1POLB
SCHEMBL3305698 0.83 PTGS2 (0.38) KDM4EALDH1A1MAPTHSD11B1RAB9A
SCHEMBL3298532 0.81 MGAM (0.33) HPGDHSD11B1POLB
SCHEMBL3300940 0.80 HTR6 (0.41) KDM4EALDH1A1MAPT
SCHEMBL3303945 0.80 MMP7 (0.35) THRBHPGDHSD11B1
SCHEMBL3300480 0.80 PTGS2 (0.37) HSD11B1NPC1P2RX3PTGS2
SCHEMBL3299934 0.79 IMPDH2 (0.34) HPGDHSD11B1
SCHEMBL3297369 0.78 S1PR1 (0.44)

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 KDM4E 620/4885ALDH1A1 1848/4885THRB 2075/4885

“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.