SCHEMBL3847288

SCHEMBL3847288

CC(C)(C)N(C(=O)O)c1ccc(-c2cc(C=O)[nH]n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 10/20 0.40
NR1H4 Q96RI1 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
CA12 O43570 4/20 0.38
CA9 Q16790 3/20 0.37
RPA1 P27694 1/20 0.37
TP53 P04637 1/20 0.36
CHEK1 O14757 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
TYRO3 Q06418 1/20 0.36
MAPK14 Q16539 1/20 0.36
LRRK2 Q5S007 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL3393351 0.77 TDP1 (0.52) ALPLHCAR2TP53GSK3BMAPT
SCHEMBL5529855 0.76 ALPL (0.46) ALPLCA12CA9RPA1TP53
SCHEMBL28797356 0.74 HCAR2 (0.51) ALPLHCAR2CA12CA9RPA1
SCHEMBL5529847 0.73 HDAC3 (0.52) ALPLCHEK1RETPDGFRBPIM1
SCHEMBL5522387 0.72 FOXO1 (0.47) TP53GSK3BPOLB
SCHEMBL28092499 0.72 ALPL (0.56) ALPLRETMAPTPOLBRAB9A
SCHEMBL3503371 0.72 CYP2A6 (0.48) NR1H4GAAMAPTPOLBRAB9A
SCHEMBL14814661 0.69 CA12 (0.56) ALPLCA12RPA1TP53RET
SCHEMBL1790376 0.69 KDM4E (0.39) ALPLRETMAPTPOLBRAB9A
SCHEMBL1790373 0.69 KDM4E (0.39) ALPLRETMAPTPOLBRAB9A

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-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
EP-1797072-A4 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-09-09 EP disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 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 (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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 ALPL 3987/4885NR1H4 3726/4885HCAR2 1838/4885

“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.