SCHEMBL6990965

SCHEMBL6990965

CC(C)(NS(=O)(=O)c1cccc(C#N)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.49
PGR P06401 1/20 0.48
ACLY P53396 2/20 0.46
CRBN Q96SW2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADAMTS4 O75173 1/20 0.44
GLO1 Q04760 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
TRIM24 O15164 1/20 0.43
ITGAV P06756 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43

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
SCHEMBL13900229 0.84 MAPT (0.63) KAT6APGRACLYCRBNRXFP1
SCHEMBL14676410 0.80 KMT2A (0.53) MAPTKDM4EMEN1NPC1LMNA
SCHEMBL19006934 0.79 KAT6A (0.50) KAT6APGRACLYCRBNRXFP1
SCHEMBL10402270 0.78 BCAT1 (0.50) KAT6AMAPTKDM4EMEN1NPC1
SCHEMBL14675686 0.78 PGR (0.53) PGRMAPTKDM4EMEN1NPC1
SCHEMBL14677369 0.78 ATM (0.54) KAT6APGRMAPTKDM4EMEN1
SCHEMBL14675852 0.78 MAPT (0.47) KAT6APGRMAPTKDM4EMEN1
SCHEMBL17127741 0.77 KAT6A (0.53) KAT6APGRACLYCRBNRXFP1
SCHEMBL14677195 0.76 CA1 (0.61) KAT6APGRACLYMEN1HPGD
SCHEMBL14676154 0.76 MEP1B (0.54) KAT6APGRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1443160-A N-substituted-1-amino-1,1-dialkyl carboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-09-17 CN disclosed
US-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 US disclosed
EP-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 KAT6A 4308/4885PGR 2007/4885ACLY 9/4885

“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.