SCHEMBL7794277

SCHEMBL7794277

COC(=O)c1sc2c(c1Cl)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
MKNK1 Q9BUB5 10/20 0.48
P2RX3 P56373 3/20 0.43
NR1H2 P55055 1/20 0.43
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7794276 0.88 ADORA1 (0.63) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL7796803 0.86 ADORA1 (0.55) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL20665903 0.86 ADORA1 (0.61) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL9139042 0.80 ADORA1 (0.47) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL20665856 0.79 ADORA1 (0.53) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL622747 0.79 ADORA1 (0.52) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL13739529 0.79 ADORA1 (0.78) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL7794246 0.77 ADORA1 (0.65) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL624102 0.77 ADORA1 (0.49) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL17194311 0.76 ADORA1 (0.55) ADORA1KDM4EMAPTMKNK1P2RX3

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

“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.