SCHEMBL353988

SCHEMBL353988

CC(C)(C)OC(=O)N1CCC(C2CCc3ccc(C(=O)NO)cc3C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GPR119 Q8TDV5 7/20 0.51
HDAC6 Q9UBN7 6/20 0.51
HDAC8 Q9BY41 4/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
NR1H2 P55055 1/20 0.45

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
SCHEMBL354456 0.79 HDAC8 (0.46) HDAC6HDAC8
SCHEMBL354137 0.76 HDAC8 (0.53) HDAC6HDAC8
SCHEMBL2120817 0.73 HDAC6 (0.54) NPC1RAB9AGPR119HDAC6HDAC8
SCHEMBL2310678 0.73 ESR2 (0.57) NPC1RAB9AHDAC6HDAC8KMT2A
SCHEMBL9949384 0.73 NAMPT (0.52) HDAC6HDAC8
SCHEMBL9949404 0.72 HDAC6 (0.58) HDAC6HDAC8LMNANR1H2
SCHEMBL25110311 0.71 NR1H2 (0.67) NPC1RAB9AGPR119HDAC6HDAC8
SCHEMBL310117 0.71 GPR119 (0.67) GPR119
SCHEMBL10247358 0.71 HDAC8 (0.47) HDAC6HDAC8
SCHEMBL10253429 0.71 HDAC8 (0.53) HDAC6HDAC8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NPC1 2866/4885RAB9A 1801/4885GPR119 813/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPC1 2958/4885RAB9A 1003/4885GPR119 926/4885

“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.