SCHEMBL7795815

SCHEMBL7795815

CCOC(=O)c1sc2c(c1OC)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.69
MAPT P10636 7/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.45
P2RX3 P56373 5/20 0.45
NPSR1 Q6W5P4 5/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
BLM P54132 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12869122 0.87 ADORA1 (0.68) ADORA1MAPTKDM4EGAANPSR1
SCHEMBL3001072 0.83 ADORA1 (0.45) ADORA1MAPTKDM4EGAANPSR1
SCHEMBL27302179 0.82 ADORA1 (0.81) ADORA1MAPTKDM4EGAANPSR1
SCHEMBL938054 0.81 ADORA1 (1.00) ADORA1MAPTKDM4EGAANPSR1
SCHEMBL30772858 0.79 ADORA1 (0.77) ADORA1MAPTKDM4EGAANPSR1
SCHEMBL24503623 0.77 ADORA1 (0.74) ADORA1MAPTKDM4ENPSR1ALDH1A1
SCHEMBL13832372 0.76 ADORA1 (0.71) ADORA1MAPTKDM4ENPSR1ALDH1A1
SCHEMBL13118470 0.76 ADORA1 (0.67) ADORA1MAPTKDM4EGAANPSR1
SCHEMBL23833388 0.76 ADORA1 (0.65) ADORA1MAPTKDM4EGAANPSR1
SCHEMBL939860 0.75 ADORA1 (0.88) ADORA1MAPTKDM4EGAANPSR1

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 5 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-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
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 ADORA1 2928/4885MAPT 2380/4885KDM4E 903/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ADORA1 2928/4885MAPT 2380/4885KDM4E 903/4885

“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.