SCHEMBL1174045

SCHEMBL1174045

CC(C)(C)C(=O)N1Cc2cc(C(=O)NO)sc2C1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.78
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC1 Q13547 1/20 0.45
▸ HPGD P15428 3/20 0.39
▸ KDM1A O60341 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ TP53 P04637 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 0.88 HDAC6 (1.00) HDAC6HDAC8HPGDKDM1AALDH1A1
SCHEMBL1174246 0.88 HDAC6 (1.00) HDAC6HDAC8HPGDKDM1AALDH1A1
SCHEMBL1173935 0.87 HDAC6 (0.60) HDAC6HDAC8HDAC1HPGDALDH1A1
SCHEMBL12883832 0.79 HDAC6 (0.50) HDAC6HDAC8HDAC1ALDH1A1NPC1
SCHEMBL7799782 0.75 HDAC6 (0.79) HDAC6HDAC8HPGDALDH1A1MAPK1
SCHEMBL1174513 0.74 HDAC6 (0.72) HDAC6HDAC8HDAC1KDM1AMAPK1
SCHEMBL1262950 0.74 HDAC6 (1.00) HDAC6HDAC8HDAC1RIPK1
SCHEMBL12883241 0.72 HDAC6 (0.53) HDAC6HDAC8HDAC1KDM1AKDM4E
SCHEMBL1174272 0.72 CNR2 (0.53) HDAC6KDM1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1174284 0.71 HDAC6 (0.70) HDAC6HDAC8HPGDKDM1A

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 8 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — 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
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 1/4885HDAC8 11/4885HDAC1 3/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC8 11/4885HDAC1 3/4885

“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.

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