SCHEMBL7121934

SCHEMBL7121934

CC(C)(C)NS(=O)(=O)c1cccc(C2c3ccccc3C(=O)N2CC(=O)Nc2cccc(C#N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 5/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALPG P10696 1/20 0.39
LMNA P02545 1/20 0.39
DUSP3 P51452 1/20 0.39
KCNA5 P22460 2/20 0.38
USP30 Q70CQ3 1/20 0.37
HTT P42858 1/20 0.37
PTK2B Q14289 1/20 0.37

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
SCHEMBL7117838 0.82 KDM4E (0.43) HPGDMAPTKMT2AMEN1LMNA
SCHEMBL7125644 0.82 USP30 (0.39) HPGDALDH1A1MAPTPOLBKMT2A
SCHEMBL7129114 0.80 MGLL (0.37) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL7130067 0.73 MGLL (0.33) HPGDMAPTKMT2AMEN1LMNA
SCHEMBL7117720 0.71 MAPT (0.36) ALDH1A1MAPTKMT2APKMMEN1
SCHEMBL7122643 0.70 USP30 (0.36) L3MBTL1KCNA5USP30
SCHEMBL7121933 0.70 HPGD (0.44) HPGDACHEBACE1ALDH1A1MAPT
SCHEMBL7126472 0.69 PARG (0.43) HPGDMAPTKMT2APKMMEN1
SCHEMBL13900229 0.68 MAPT (0.63) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL7121882 0.68 RAB9A (0.38) HPGDBACE1ALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114448-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2002096873-A1 ISOINDOLE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-12-05 WO 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-20030114448-A1 Inhibitors of factor Xa SERPINC1, F11, TFPI HPGD 755/4885ACHE 965/4885BACE1 1164/4885

“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.