SCHEMBL5354892

SCHEMBL5354892

CC(C)(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.53
PTGER2 P43116 1/20 0.53
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 4/20 0.44
PKM P14618 1/20 0.43
MCHR1 Q99705 1/20 0.42

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
SCHEMBL5360226 0.91 PTGER4 (0.51) PTGER4PTGER2POLBMEN1KMT2A
SCHEMBL6615489 0.87 KMT2A (0.47) POLBMEN1KMT2APDE4APDE4B
SCHEMBL5359744 0.86 PTGER4 (0.46) PTGER4PTGER2POLBMEN1KMT2A
SCHEMBL5362716 0.86 PDE4A (0.60) POLBMEN1KMT2APDE4APDE4B
SCHEMBL8487466 0.85 PTGER4 (0.51) PTGER4POLBMEN1KMT2ATSHR
SCHEMBL5359681 0.84 PTGER4 (0.74) PTGER4PTGER2MAPT
SCHEMBL6475759 0.81 KMT2A (0.48) POLBMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7367596 0.81 PDE4A (0.54) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL5354967 0.78 PDE4A (0.57) POLBMEN1KMT2APDE4APDE4B
SCHEMBL5362091 0.78 PDE4A (0.61) POLBPDE4APDE4BPDE4CPDE4D

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-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC 2004-09-02 US disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 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-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, PDE4A, NOX1 PTGER4 95/4885PTGER2 292/4885POLB 2191/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 PTGER4 104/4885PTGER2 351/4885POLB 2609/4885

“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.