SCHEMBL2957560

SCHEMBL2957560

CC(NC(=O)OC(C)(C)C)c1ccc(N)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.43
CTSK P43235 3/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCB1 P08183 1/20 0.37
CTSS P25774 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 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
SCHEMBL2959098 1.00 AAK1 (0.43) AAK1CTSKSLC6A3KMT2ATSHR
SCHEMBL27552474 0.83 HPGD (0.44) AAK1CTSKTSHRHSD17B10ABCB1
SCHEMBL2010266 0.82 CTSK (0.40) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL16370241 0.82 AAK1 (0.41) AAK1CTSKKMT2ATSHRHSD17B10
SCHEMBL2010271 0.82 CTSK (0.40) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL2948498 0.81 AAK1 (0.41) AAK1CTSKKMT2ATSHRHSD17B10
SCHEMBL2948501 0.81 AAK1 (0.41) AAK1CTSKKMT2ATSHRHSD17B10
SCHEMBL4178537 0.80 CTSK (0.47) AAK1CTSKKMT2ATSHRHSD17B10
SCHEMBL2389586 0.80 ACACB (0.53) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL1438942 0.80 CTSK (0.47) AAK1CTSKKMT2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
CN-101142174-B Novel compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising the same AMOREPACIFIC CORP 2012-05-09 CN disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 US disclosed
CN-101142174-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof; and pharmaceutical compositions comprising the same AMOREPACIFIC CORP (KR) 2008-03-12 CN disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 AAK1 998/4885CTSK 2535/4885SLC6A3 461/4885

“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.