SCHEMBL7796802

SCHEMBL7796802

CC(C)(C)OC(=O)N1CCc2c(sc(C(=O)O)c2F)C1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.63
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
MKNK1 Q9BUB5 9/20 0.45
PTGER4 P35408 1/20 0.45
P2RX3 P56373 4/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL7796803 0.88 ADORA1 (0.55) ADORA1KDM4EMAPTMKNK1PTGER4
SCHEMBL7794246 0.86 ADORA1 (0.65) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL7794276 0.85 ADORA1 (0.63) ADORA1KDM4EMAPTMKNK1PTGER4
SCHEMBL27302182 0.80 ADORA1 (0.77) ADORA1KDM4EMAPTMKNK1PTGER4
SCHEMBL6425010 0.79 ADORA1 (0.55) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL3499018 0.78 ADORA1 (1.00) ADORA1KDM4EMAPTMKNK1PTGER4
SCHEMBL7794277 0.76 ADORA1 (0.55) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL20665903 0.76 ADORA1 (0.61) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL13037555 0.75 ADORA1 (0.75) ADORA1KDM4EMAPTMKNK1P2RX3
SCHEMBL13736559 0.74 ADORA1 (0.68) ADORA1KDM4EMAPTMKNK1PTGER4

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.