SCHEMBL7790576

SCHEMBL7790576

C[C@@H](NC(=O)N1Cc2cc(C(=O)NO)sc2C(C)(C)C1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC6 Q9UBN7 5/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL7795317 1.00 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC6ALDH1A1
SCHEMBL7801235 1.00 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC6ALDH1A1
SCHEMBL7789527 0.80 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC6NAMPT
SCHEMBL1174109 0.79 NAMPT (0.46) HDAC1HDAC3HDAC4HDAC6ALDH1A1
SCHEMBL1174479 0.78 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC6ALDH1A1
SCHEMBL7797186 0.77 HDAC6 (0.54) HDAC1HDAC3HDAC4HDAC6ALDH1A1
SCHEMBL7796730 0.77 HDAC6 (0.46) HDAC1HDAC3HDAC4HDAC6ALDH1A1
SCHEMBL7801296 0.76 HDAC6 (0.41) HDAC1HDAC3HDAC6ALDH1A1MAPT
SCHEMBL7799029 0.75 NPC1 (0.52) HDAC1HDAC3HDAC4HDAC6MAPT
SCHEMBL12869062 0.75 HDAC6 (0.39) HDAC6ALDH1A1NAMPT

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 HDAC1 3/4885HDAC3 4/4885HDAC4 5/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC1 3/4885HDAC3 4/4885HDAC4 5/4885

“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.