SCHEMBL369629

SCHEMBL369629

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.38
CTSK P43235 1/20 0.38
AKT1 P31749 3/20 0.36
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10565579 0.79 AKT1 (0.49) CTSSCTSKAKT1CTSLCTSB
SCHEMBL28420950 0.78 MIF (0.46) CTSSCTSKAKT1CTSLCTSB
SCHEMBL21422867 0.77 PAX8 (0.44) CTSSCTSKNPC1RAB9ACHRM2
SCHEMBL437284 0.76 CHRNB2 (0.34) CTSSCTSKNPC1RAB9ACHRM2
SCHEMBL12046629 0.76 ALOX5 (0.36) CTSSCTSKNPC1RAB9AMAPT
SCHEMBL4865232 0.75 MAPT (0.47) CTSSCTSKAKT1CTSLNPC1
SCHEMBL1780463 0.75 MAPT (0.43) CTSSCTSKAKT1NPC1RAB9A
SCHEMBL1781292 0.74 NPC1 (0.46) CTSSCTSKAKT1CTSLCTSB
SCHEMBL10565261 0.74 NOX1 (0.46) CTSSCTSKAKT1CTSLCTSB
SCHEMBL839023 0.74 AKT1 (0.34) CTSSAKT1CTSLCTSB

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-20130216552-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
WO-2012009137-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-19 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-20130216552-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 CTSS 3640/4885CTSK 3063/4885AKT1 2726/4885

“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.