SCHEMBL2407455

SCHEMBL2407455

CC(C)[C@@H](N)c1ccc(C(=O)NOC2CCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
P2RX3 P56373 1/20 0.41
PTGER4 P35408 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A3 Q01959 8/20 0.37
TGFBR1 P36897 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6918851 1.00 GSTP1 (0.46) GSTP1GSTM2P2RX3PTGER4SMN1; SMN2
SCHEMBL16045540 0.84 GSTP1 (0.43) GSTP1GSTM2P2RX3PTGER4SMN1; SMN2
SCHEMBL2407350 0.82 GSTP1 (0.42) GSTP1GSTM2P2RX3PTGER4SMN1; SMN2
SCHEMBL23500569 0.81 ALDH1A1 (0.51) GSTP1GSTM2P2RX3SMN1; SMN2NPC1
SCHEMBL21471527 0.81 GSTP1 (0.51) GSTP1GSTM2P2RX3SMN1; SMN2NPC1
SCHEMBL28409562 0.81 GSTP1 (0.51) GSTP1GSTM2P2RX3SMN1; SMN2NPC1
SCHEMBL23500769 0.81 MEN1 (0.54) GSTP1GSTM2P2RX3PTGER4SMN1; SMN2
SCHEMBL2498177 0.80 GSTP1 (0.43) GSTP1GSTM2P2RX3PTGER4SMN1; SMN2
SCHEMBL2498176 0.80 GSTP1 (0.43) GSTP1GSTM2P2RX3PTGER4SMN1; SMN2
SCHEMBL4082004 0.79 GSTP1 (0.49) GSTP1GSTM2P2RX3SMN1; SMN2NPC1

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 GSTP1 4209/4885GSTM2 4035/4885P2RX3 1326/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 GSTP1 4209/4885GSTM2 4035/4885P2RX3 1326/4885

“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.