SCHEMBL353385

SCHEMBL353385

COC(=O)c1ccc2c(c1)CCC(Oc1ccnc(NC(=O)C3(C)CCNCC3)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.34
HIF1A Q16665 1/20 0.34
IP6K1 Q92551 1/20 0.34
GSK3B P49841 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
FGFR1 P11362 2/20 0.33
OPRD1 P41143 1/20 0.33
WNT1 P04628 2/20 0.33
DYRK1A Q13627 2/20 0.33
CSF1R P07333 1/20 0.33
FLT3 P36888 1/20 0.33
EPHX2 P34913 1/20 0.33
CDK9 P50750 1/20 0.32
SLC9A3 P48764 1/20 0.32

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
Hydrochloric Acid SCHEMBL355233 0.99 SYK (0.34) SYKHIF1AIP6K1GSK3BCHRNB2
SCHEMBL10247293 0.92 SYK (0.38) SYKHIF1AIP6K1GSK3BBRAF
SCHEMBL354479 0.91 HDAC8 (0.41)
SCHEMBL353604 0.88 HDAC8 (0.44)
SCHEMBL353421 0.87 FGFR1 (0.40) SYKHIF1AFGFR1OPRD1CSF1R
SCHEMBL356031 0.87 HRH3 (0.39) SYKFGFR1SLC9A3
SCHEMBL354136 0.85 PKM (0.37) SYKBRAFKDR
SCHEMBL15981203 0.83 SYK (0.38) SYKHIF1ABRAFKDRSLC9A3
SCHEMBL10247112 0.82 HDAC8 (0.42) SYK
SCHEMBL356119 0.82 KDM4E (0.39) HIF1AGSK3BBRAFEPHX2SLC9A3

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 6 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
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 SYK 1676/4885HIF1A 167/4885IP6K1 4021/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 SYK 2535/4885HIF1A 137/4885IP6K1 4018/4885

“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.