SCHEMBL1174167

SCHEMBL1174167

CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2cc(C(=O)O)sc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL1175345 0.88 PKM (0.47) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL1174086 0.80 NPC1 (0.41) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL1175212 0.75 LMNA (0.50) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL1879992 0.69 ALDH1A1 (0.55) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL7248710 0.69 LMNA (0.59) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL2360974 0.69 ALDH1A1 (0.84) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL2061369 0.68 PKM (0.76) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL18230449 0.68 KMT2A (0.69) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL18230447 0.68 KMT2A (0.69) LMNAPKMALDH1A1KMT2AMEN1
Ethylene SCHEMBL7251030 0.67 LMNA (0.56) LMNAPKMALDH1A1KMT2AMEN1

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 LMNA 784/4885PKM 1733/4885ALDH1A1 1220/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 LMNA 784/4885PKM 1733/4885ALDH1A1 1220/4885

“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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