SCHEMBL5352189

SCHEMBL5352189

COc1ccc(CCC(NC(=O)C(F)(F)F)C(=O)O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LDHA P00338 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL5889359 1.00 TAS1R3 (0.43) TAS1R3TAS1R1HTTKDM4EMITF
SCHEMBL5889331 1.00 TAS1R3 (0.43) TAS1R3TAS1R1HTTKDM4EMITF
SCHEMBL7834588 0.91 LDHA (0.50) KDM4EALDH1A1LDHAMAPK1CYP1A2
SCHEMBL7830420 0.91 LDHA (0.50) KDM4EALDH1A1LDHAMAPK1CYP1A2
SCHEMBL5345318 0.89 TAS1R3 (0.41) TAS1R3TAS1R1HTTKDM4EMITF
SCHEMBL29633689 0.84 LDHA (0.47) TAS1R3TAS1R1HTTKDM4EMITF
SCHEMBL8064674 0.81 CYP1A2 (0.39) TAS1R3TAS1R1ALDH1A1LMNACYP1A2
SCHEMBL5889370 0.79 HTT (0.50) TAS1R3TAS1R1HTTALDH1A1LMNA
SCHEMBL5351455 0.79 HTT (0.50) TAS1R3TAS1R1HTTALDH1A1LMNA
SCHEMBL5355623 0.79 HTT (0.50) TAS1R3TAS1R1HTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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-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

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 TAS1R3 4531/4885TAS1R1 4121/4885HTT 4744/4885

“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.