SCHEMBL1175508

SCHEMBL1175508

CC1(C)CNCc2cc(C(=O)NOC3CCCCO3)sc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ GSTP1 P09211 1/20 0.32
▸ GSTM2 P28161 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ICAM1 P05362 1/20 0.30
▸ SELE P16581 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12869309 0.81 RAB9A (0.34) EPHX2RAB9ANPC1GSTP1GSTM2
SCHEMBL1174086 0.70 NPC1 (0.41) EPHX2NPC1GSTP1GSTM2SMN1; SMN2
SCHEMBL7797109 0.70 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2282073 0.70 GSTP1 (0.43) EPHX2RAB9ANPC1GSTP1GSTM2
SCHEMBL17897322 0.69 GSTP1 (0.38) EPHX2GSTP1GSTM2TGFBR1CCNA2
SCHEMBL1883806 0.69 MEN1 (0.44) RAB9AGSTP1GSTM2SMN1; SMN2TGFBR1
SCHEMBL1888821 0.69 HDAC1 (0.46) RAB9ANPC1GSTP1GSTM2SMN1; SMN2
SCHEMBL1026878 0.67 MELK (0.42) GSTP1GSTM2
SCHEMBL1025073 0.67 F2 (0.43) GSTP1GSTM2
SCHEMBL6219942 0.67 GSTP1 (0.37) EPHX2RAB9ANPC1GSTP1GSTM2

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
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO 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 EPHX2 1446/4885RAB9A 2388/4885NPC1 1431/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 EPHX2 1446/4885RAB9A 2388/4885NPC1 1431/4885

“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.

Send feedback