SCHEMBL7795095

SCHEMBL7795095

CC(C)(C)OC(=O)N1CCCc2ccsc2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NR1H2 P55055 2/20 0.48
ADORA1 P30542 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
KCNQ2 O43526 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RIPK1 Q13546 1/20 0.42
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GRAMD1A Q96CP6 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39

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
SCHEMBL976218 0.92 ESR2 (0.58) ESR2NR1H2ADORA1MAPK1MAPT
SCHEMBL28824366 0.84 ESR2 (0.48) ESR2NR1H2ADORA1MAPK1MAPT
SCHEMBL1015935 0.83 ESR2 (0.58) ESR2NR1H2ADORA1MAPK1MAPT
SCHEMBL1425282 0.82 PRMT5 (0.47) MAPTKDM4EKCNQ2ALDH1A1LMNA
SCHEMBL3005376 0.82 ESR2 (0.52) ESR2NR1H2ADORA1MAPK1MAPT
SCHEMBL8917620 0.80 NOTUM (0.46) KCNQ2RIPK1HSP90AA1PRMT5WDR77
SCHEMBL23142197 0.79 ESR2 (0.47) ESR2NR1H2ADORA1MAPK1MAPT
SCHEMBL14558091 0.79 RIPK1 (0.67) ESR2NR1H2MAPK1NPC1RAB9A
SCHEMBL23142179 0.78 ESR2 (0.46) ESR2NR1H2ADORA1MAPK1MAPT
SCHEMBL12869096 0.76 HDAC6 (0.51) ESR2NR1H2ADORA1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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 (2 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ESR2 3352/4885NR1H2 539/4885ADORA1 2928/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ESR2 3352/4885NR1H2 539/4885ADORA1 2928/4885

“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.