SCHEMBL519129

SCHEMBL519129

CC(C)(C)N(C(=O)O)c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.39
FFAR1 O14842 3/20 0.39
PIM1 P11309 1/20 0.39
PDE2A O00408 4/20 0.38
EPHX2 P34913 1/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
GPR3 P46089 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL519443 0.86 MAPT (0.37) FFAR1EPHX2
SCHEMBL16506791 0.79 CES2 (0.40)
SCHEMBL57513 0.76 DGAT1 (0.41)
SCHEMBL17601353 0.76 FSCN1 (0.39)
SCHEMBL28540608 0.76 KDM4C (0.32)
SCHEMBL1426134 0.75 CETP (0.43)
SCHEMBL31255618 0.75 PDE2A (0.39) FFAR4FFAR1PIM1PDE2AEPHX2
SCHEMBL19179760 0.74 HSD11B1 (0.39)
SCHEMBL29195586 0.72 RXRA (0.40) FFAR4FFAR1
SCHEMBL5392343 0.71 AKR1C3 (0.36) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 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-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B FFAR4 3459/4885FFAR1 2728/4885PIM1 2345/4885

“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.