SCHEMBL16699249

SCHEMBL16699249

CC1(C)OB(c2ccnc(N(CC3CC3)C(=O)O)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
HIF1A Q16665 5/20 0.35
LIPG Q9Y5X9 3/20 0.34
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPK14 Q16539 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DGAT1 O75907 1/20 0.33
LPL P06858 2/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
P4HB P07237 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
SCHEMBL1554613 0.84 LIPG (0.39) HIF1ALIPGF2F11PRSS1
SCHEMBL21610948 0.80 F2 (0.41) HIF1ALIPGF2F11PRSS1
SCHEMBL3476749 0.79 LIPG (0.36) HIF1ALIPGF2F11PRSS1
SCHEMBL1554719 0.76 DGAT1 (0.37) HIF1ALIPGF2F11PRSS1
SCHEMBL17439308 0.74 DGAT1 (0.34) HIF1ALIPGF2F11PRSS1
SCHEMBL16698580 0.73 SMN1; SMN2 (0.42) MAPK14KDM2BHCAR3S1PR3
SCHEMBL14804515 0.72 LPL (0.39) LIPGF11LPL
SCHEMBL1555268 0.72 JAK2 (0.47) HIF1AMAPK14GSK3AGSK3B
SCHEMBL24685618 0.71 AAK1 (0.37) HIF1ALIPGF2F11PRSS1
SCHEMBL30057793 0.71 ROCK1 (0.43) HIF1ALIPGF2F11PRSS1

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
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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 (1 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-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 RXRA 2171/4885RXRB 2283/4885RXRG 2435/4885

“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.