SCHEMBL6793943

SCHEMBL6793943

CCN(CC(C)c1ccc(-c2ccsc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.51
CYP17A1 P05093 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GPR88 Q9GZN0 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
HRH2 P25021 1/20 0.35

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
SCHEMBL6783058 0.90 GRIA4 (0.51) GRIA4CYP17A1CTSLCTSBCTSS
SCHEMBL6789706 0.80 GRIA4 (0.56) GRIA4CYP17A1CTSLCTSBCTSS
SCHEMBL6783646 0.77 GRIA2 (0.50) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL4584209 0.74 GRIA4 (0.63) GRIA4CYP17A1CTSLCTSBCTSS
SCHEMBL6787367 0.73 GRIA4 (0.49) GRIA4CYP17A1CTSLCTSBCTSS
SCHEMBL6783486 0.73 GRIA4 (0.45) GRIA4CYP17A1CTSLCTSBCTSS
Atliprofen SCHEMBL29387619 0.72 PTGS2 (0.62) GRIA4CYP17A1ACMSDCYP2E1CYP2A6
SCHEMBL6787350 0.72 GRIA4 (0.64) GRIA4CYP17A1CTSLCTSBCTSS
SCHEMBL6783719 0.71 GRIA4 (0.63) GRIA4CYP17A1CTSLCTSBCTSS
SCHEMBL6783013 0.71 GRIA4 (0.59) GRIA4CYP17A1CTSLCTSBCTSS

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
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 US disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP 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-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 GRIA4 16/4885CYP17A1 4681/4885CTSL 2458/4885

“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.