SCHEMBL6990928

SCHEMBL6990928

N#Cc1cccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
KAT6A Q92794 2/20 0.46
CCKBR P32239 1/20 0.45
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 2/20 0.45
PLG P00747 3/20 0.44
PLAU P00749 3/20 0.44
PGR P06401 1/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLAT P00750 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
ACLY P53396 2/20 0.42
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL6994772 0.99 USP2 (0.53) USP2SMN1; SMN2HTTKAT6ACCKBR
SCHEMBL7078089 0.89 USP2 (0.44) USP2SMN1; SMN2HTTKAT6ACCKBR
SCHEMBL7077236 0.88 MMP1 (0.52) USP2SMN1; SMN2HTTKAT6ACYP3A4
SCHEMBL7084134 0.88 KAT6A (0.44) USP2SMN1; SMN2HTTKAT6ACCKBR
SCHEMBL27589461 0.86 CYP3A4 (0.48) USP2SMN1; SMN2KAT6ACCKBRCYP3A4
SCHEMBL5675304 0.81 USP2 (0.60) USP2SMN1; SMN2HTTCYP1A2PLG
SCHEMBL14676227 0.79 USP2 (0.58) USP2SMN1; SMN2HTTCYP1A2PLG
SCHEMBL7079042 0.79 CYP2D6 (0.48) USP2SMN1; SMN2CYP3A4CYP1A2HIF1A
SCHEMBL7066513 0.78 USP2 (0.58) USP2SMN1; SMN2HTTKAT6APLG
SCHEMBL7066464 0.77 HTT (0.57) USP2SMN1; SMN2HTTPLGPLAU

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 USP2 3490/4885SMN1; SMN2 3251/4885HTT 4858/4885

“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.