SCHEMBL5345580

SCHEMBL5345580

COc1ccc(CCC(N)C(=O)O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
LDHA P00338 1/20 0.49
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
STAT3 P40763 1/20 0.44
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5345575 1.00 GRIK1 (0.49) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29378321 0.87 LDHA (0.60) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29965330 0.87 LDHA (0.60) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL28741565 0.86 LDHA (0.59) LDHAHTTLMNAMAPK1RAB9A
SCHEMBL8012680 0.86 LDHA (0.59) LDHAHTTLMNAMAPK1RAB9A
SCHEMBL31329364 0.86 LDHA (0.59) LDHAHTTLMNAMAPK1RAB9A
SCHEMBL5345434 0.85 TAS1R3 (0.46) HTTLMNAKDM4EMITFALDH1A1
SCHEMBL25177926 0.85 GRIK1 (0.48) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL25177927 0.85 GRIK1 (0.48) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL25186372 0.84 GRIK1 (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4

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
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN disclosed
US-7169808-B2 Compounds useful for the preparation of medicaments with phosphodiesterase IV inhibitory activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-01-30 US disclosed
US-20030195257-A1 Compounds useful for the preparation of medicaments with phosphodiesterase IV inhibitory activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNTE S.P.A. (IT) 2003-10-16 US disclosed
EP-1292563-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF MEDICAMENTS WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2003-03-19 EP disclosed
WO-2002000593-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF MEDICAMENTS WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-01-03 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-20030195257-A1 Compounds useful for the preparation of medicaments with phosphodiesterase IV inhibitory activity PDE3A, PDE5A, PDE3B GRIK1 2668/4885GRIA1 3204/4885GRIA2 4232/4885

“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.