SCHEMBL7794886

SCHEMBL7794886

CN[C@H](C(=O)N1CCc2sc(C(=O)NO)cc2C1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.62
KDM1A O60341 5/20 0.45
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
PRMT5 O14744 4/20 0.39
WDR77 Q9BQA1 4/20 0.39
GAA P10253 1/20 0.39
HCRTR2 O43614 1/20 0.38

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
SCHEMBL1173977 0.77 HDAC6 (1.00) HDAC6KDM1AHPGDALDH1A1TP53
SCHEMBL15729966 0.74 HDAC6 (0.41) HDAC6GAAHCRTR2
SCHEMBL1174513 0.74 HDAC6 (0.72) HDAC6KDM1AMAPK1PRMT5WDR77
SCHEMBL19086025 0.72 ENPP2 (0.43) HDAC6PRMT5WDR77
SCHEMBL1174003 0.72 HDAC6 (0.59) HDAC6KDM1AALDH1A1
SCHEMBL1174050 0.72 HDAC6 (0.62) HDAC6KDM1AHPGDALDH1A1TP53
SCHEMBL12883097 0.72 HDAC6 (0.55) HDAC6KDM1AHPGDALDH1A1TP53
SCHEMBL7796817 0.72 HDAC6 (0.55) HDAC6KDM1AHPGDALDH1A1TP53
SCHEMBL1173763 0.71 HDAC6 (1.00) HDAC6KDM1A
SCHEMBL1174506 0.71 HDAC6 (0.61) HDAC6KDM1APRMT5WDR77

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 HDAC6 1/4885KDM1A 188/4885HPGD 1100/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885KDM1A 188/4885HPGD 1100/4885

“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.