SCHEMBL2010271

SCHEMBL2010271

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB1 P08183 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CTSS P25774 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
ACACB O00763 1/20 0.36
TRPA1 O75762 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL2010266 1.00 CTSK (0.40) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL3315171 0.87 CTSK (0.43) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL20201946 0.83 TRPA1 (0.43) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL8276010 0.83 CTSK (0.40) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL8225134 0.83 CTSK (0.40) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL2957560 0.82 AAK1 (0.43) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL29142097 0.82 HPGD (0.45) CTSKABCB1CA1CA2KDM4E
SCHEMBL2959098 0.82 AAK1 (0.43) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL16044609 0.82 CTSK (0.41) CTSKKMT2ATSHRHSD17B10ABCB1
SCHEMBL16044610 0.82 CTSK (0.41) CTSKKMT2ATSHRHSD17B10ABCB1

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-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R CTSK 4682/4885KMT2A 2785/4885TSHR 42/4885

“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.