SCHEMBL16611134

SCHEMBL16611134

COc1nccc2c1c(-c1ccc(CC(=O)O)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
PPARD Q03181 2/20 0.36
PTGER1 P34995 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PPARA Q07869 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
HTT P42858 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
PDE4B Q07343 1/20 0.33
BUB1 O43683 1/20 0.33
RORC P51449 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL16611570 0.90 PPARD (0.38) FFAR4PPARDPTGER1CDK2PPARA
SCHEMBL16611684 0.87 RORC (0.43) FFAR4PTGER1CCNA2CDK2RORC
SCHEMBL16610973 0.83 PIK3CG (0.37) CCNA2CDK2EGFRMAPK14SRC
SCHEMBL16610883 0.82 PTGS2 (0.33) FFAR4PPARDCCNA2CDK2PPARA
SCHEMBL16611034 0.80 SRC (0.39) CCNA2CDK2EGFRSRC
SCHEMBL16610686 0.78 MAPK1 (0.39) CDK2HTT
SCHEMBL16611229 0.78 LRRK2 (0.33) CCNA2CDK2
SCHEMBL16611438 0.77 HTR7 (0.38) CCNA2CDK2MAPK14
SCHEMBL16610798 0.76 LRRK2 (0.35) PTGER1CCNA2CDK2
SCHEMBL16611191 0.76 KDR (0.38) FFAR4PTGER1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 FFAR4 2296/4885PPARD 293/4885PTGER1 1116/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 FFAR4 2296/4885PPARD 293/4885PTGER1 1116/4885

“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.