SCHEMBL3301538

SCHEMBL3301538

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2cccc(C(N)=O)c2)c1)S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.54
PIM1 P11309 1/20 0.54
PIM3 Q86V86 1/20 0.54
RORC P51449 6/20 0.42
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
PARP1 P09874 1/20 0.34
HPGDS O60760 1/20 0.33
PGR P06401 1/20 0.32
ADAMTS4 O75173 1/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HCRTR2 O43614 1/20 0.32
HTR6 P50406 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL3298987 0.94 ROCK2 (0.50) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3301695 0.91 ROCK2 (0.43) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3295575 0.85 ROCK2 (0.39) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3366649 0.81 ITGA4 (0.35) ROCK2PIM1PIM3HPGDHSD11B1
SCHEMBL3301322 0.80 ROCK2 (0.59) ROCK2PIM1PIM3RORCHPGD
SCHEMBL13390746 0.80 ROCK2 (0.53) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3301386 0.79 DGAT1 (0.33) ROCK2PIM1PIM3HSD11B1HTR6
SCHEMBL3305126 0.78 DGAT1 (0.37) ROCK2PIM1PIM3
SCHEMBL3298307 0.77 HSD11B1 (0.32) HSD11B1HTR6
SCHEMBL3363924 0.77 KCNA3 (0.33) ROCK2PIM1PIM3HSD11B1PPARG

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 ROCK2 1978/4885PIM1 600/4885PIM3 981/4885

“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.