SCHEMBL3301695

SCHEMBL3301695

CNC(=O)c1cccc(-n2ccc3cc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c4cccc(Cl)c4)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
RORC P51449 4/20 0.42
HPGD P15428 1/20 0.38
HSD11B1 P28845 1/20 0.37
HPGDS O60760 1/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
SCN2B O60939 1/20 0.35
SCN1A P35498 1/20 0.35
SCN1B Q07699 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
CPT1A P50416 3/20 0.34
CPT1B Q92523 3/20 0.34
CPT2 P23786 2/20 0.34
MAPT P10636 2/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL3295575 0.94 ROCK2 (0.39) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3301538 0.91 ROCK2 (0.54) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3298987 0.85 ROCK2 (0.50) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3304658 0.82 RORC (0.46) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3294888 0.81 IRAK4 (0.33) RORC
SCHEMBL13390458 0.81 RORC (0.45) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3366649 0.79 ITGA4 (0.35) ROCK2PIM1PIM3HPGDHSD11B1
SCHEMBL3300992 0.78 ROCK1 (0.33)
SCHEMBL3301386 0.77 DGAT1 (0.33) ROCK2PIM1PIM3HSD11B1
SCHEMBL3300774 0.77 ROCK2 (0.42) ROCK2PIM1PIM3RORCHPGD

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.