SCHEMBL1175345

SCHEMBL1175345

CCOC(=O)c1cc2c(s1)C(C)(C)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.47
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ USP10 Q14694 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL1174167 0.88 LMNA (0.50) PKMLMNAPOLBALDH1A1NPC1
SCHEMBL1174086 0.78 NPC1 (0.41) PKMLMNAPOLBALDH1A1NPC1
SCHEMBL1175212 0.73 LMNA (0.50) PKMLMNAPOLBALDH1A1NPC1
SCHEMBL12869310 0.73 KDM4E (0.43) PKMGAAALDH1A1NPC1KMT2A
SCHEMBL1174564 0.72 MEN1 (0.47) LMNAGAAALDH1A1NPC1KMT2A
SCHEMBL28423283 0.71 PKM (0.60) PKMLMNAGAAPOLBALDH1A1
SCHEMBL2523851 0.71 PKM (0.52) PKMLMNAGAAPOLBALDH1A1
SCHEMBL2520783 0.70 PKM (0.47) PKMLMNAGAAPOLBALDH1A1
SCHEMBL30502815 0.70 PKM (0.47) PKMLMNAGAAPOLBALDH1A1
SCHEMBL30502819 0.70 PKM (0.47) PKMLMNAGAAPOLBALDH1A1

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 4 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-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
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 PKM 1733/4885LMNA 784/4885GAA 46/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 PKM 1733/4885LMNA 784/4885GAA 46/4885

“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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