SCHEMBL354136

SCHEMBL354136

COC(=O)c1ccc2c(c1)CCC(Oc1ccnc(NC(=O)C3(C)CCN(C(=O)OC(C)(C)C)CC3)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
WNT3A P56704 1/20 0.36
NTRK1 P04629 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MAPT P10636 2/20 0.34
SYK P43405 2/20 0.34
STS P08842 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CHEK2 O96017 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10254656 0.93 CHEK2 (0.41) NPC1RAB9AHRH3WNT3AGPR119
SCHEMBL355334 0.92 HDAC1 (0.41) NPC1RAB9AHRH3WNT3ANTRK1
SCHEMBL353421 0.87 FGFR1 (0.40) SYKNOS3NOS1NOS2
SCHEMBL356031 0.87 HRH3 (0.39) HRH3SYKNOS3NOS1NOS2
SCHEMBL10247293 0.87 SYK (0.38) NPC1RAB9AMAPTSYKBRAF
SCHEMBL353385 0.85 SYK (0.34) SYKBRAFKDR
Hydrochloric Acid SCHEMBL355233 0.84 SYK (0.34) SYKBRAFKDR
SCHEMBL353867 0.82 HDAC8 (0.39) SYK
SCHEMBL356119 0.81 KDM4E (0.39) NPC1RAB9ABRAF
SCHEMBL355578 0.80 NPC1 (0.49) NPC1RAB9AWNT3ASTSBRAF

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 3 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
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

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 PKM 1703/4885NPC1 2866/4885RAB9A 1801/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 PKM 1080/4885NPC1 2958/4885RAB9A 1003/4885

“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.