SCHEMBL2006301

SCHEMBL2006301

CC(NC(=O)OC(C)(C)C)c1ccc(-c2cccnc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
TRPA1 O75762 1/20 0.41
ATR Q13535 1/20 0.40
POLB P06746 1/20 0.39
DHODH Q02127 4/20 0.39
FLT4 P35916 1/20 0.39
PTPN1 P18031 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ABCB1 P08183 1/20 0.38
S1PR3 Q99500 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CTSA P10619 1/20 0.37
TSHR P16473 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL2006299 1.00 CTSK (0.43) CTSKTRPA1ATRPOLBDHODH
SCHEMBL30760123 0.86 AKT1 (0.39) TRPA1ATRPOLBDHODHPTPN1
SCHEMBL2005456 0.85 NR3C1 (0.51) CTSKDHODHLMNAMAPK1USP2
SCHEMBL2005461 0.85 NR3C1 (0.51) CTSKDHODHLMNAMAPK1USP2
SCHEMBL27779621 0.83 DHODH (0.48) DHODHFLT4LMNAMAPK1USP2
SCHEMBL27779620 0.83 DHODH (0.48) DHODHFLT4LMNAMAPK1USP2
SCHEMBL9930795 0.77 ROCK2 (0.53) CTSKFLT4MAPK1ABCB1AAK1
SCHEMBL8216304 0.77 ROCK2 (0.53) CTSKFLT4MAPK1ABCB1AAK1
SCHEMBL9930794 0.77 ROCK2 (0.53) CTSKFLT4MAPK1ABCB1AAK1
SCHEMBL13715338 0.77 CTSK (0.57) CTSKUSP2MAPT

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 4682/4885TRPA1 1277/4885ATR 1896/4885

“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.