SCHEMBL5749019

SCHEMBL5749019

CCSc1cccc(Oc2ncc(F)cc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.44
PTGER2 P43116 1/20 0.40
PPARG P37231 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PLAU P00749 2/20 0.37
PLG P00747 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGS2 P35354 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
SCHEMBL5750409 0.88 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL5693434 0.87 PTGER4 (0.52) PTGER4PTGER2PPARGMEN1KMT2A
SCHEMBL4448289 0.81 PTGER4 (0.51) PTGER4PTGER2PPARGCYP1A2CYP2C19
SCHEMBL8312606 0.81 PDE4B (0.51) PDE4BPDE4APDE4D
SCHEMBL2333648 0.81 PTGER4 (0.51) PTGER4PTGER2CYP1A2CYP2C9CYP2C19
SCHEMBL8297693 0.80 PTGER4 (0.45) PTGER4PTGER2PPARGMEN1KMT2A
SCHEMBL5839215 0.79 CNR1 (0.44) PDE4BPDE4APDE4D
SCHEMBL5840163 0.79 CNR1 (0.44) PDE4BPDE4APDE4D
SCHEMBL5778510 0.79 P2RX7 (0.46) PTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL5778513 0.79 PTGER4 (0.43) PTGER4PTGER2PDE4BPDE4APDE4D

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-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A PTGER4 116/4885PTGER2 875/4885PPARG 768/4885

“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.