SCHEMBL2761886

SCHEMBL2761886

CCOC(=O)c1sc2c(c1OC)CCNC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.63
GAA P10253 5/20 0.40
KMT2A Q03164 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPT P10636 8/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MC4R P32245 1/20 0.38
MEN1 O00255 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2761754 0.85 ADORA1 (0.64) ADORA1GAAKMT2AHSD17B10MAPT
SCHEMBL2761492 0.83 ADORA1 (0.61) ADORA1GAAKMT2AHSD17B10MAPT
SCHEMBL2761755 0.83 ADORA1 (0.61) ADORA1GAAKMT2AHSD17B10MAPT
SCHEMBL7793956 0.82 ADORA1 (0.46) ADORA1HSD17B10ALOX15TSHRPTPRC
SCHEMBL6991999 0.77 ADORA1 (1.00) ADORA1GAAKMT2AHSD17B10MAPT
SCHEMBL1175364 0.77 ADORA1 (0.53) ADORA1GAAKMT2AHSD17B10MAPT
Hydrochloric Acid SCHEMBL22392262 0.76 ADORA1 (1.00) ADORA1GAAKMT2AHSD17B10MAPT
SCHEMBL11184270 0.76 ADORA1 (0.49) ADORA1GAAKMT2AHSD17B10MAPT
SCHEMBL11563940 0.76 ADORA1 (0.52) ADORA1GAAKMT2AHSD17B10MAPT
SCHEMBL3001072 0.75 ADORA1 (0.45) ADORA1GAAKMT2AHSD17B10MAPT

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 2928/4885GAA 46/4885KMT2A 87/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ADORA1 2928/4885GAA 46/4885KMT2A 87/4885

“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.