SCHEMBL6803597

SCHEMBL6803597

CCc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2OCC(C)C)c(C(N)=O)nn1Cc1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.36
SLC6A9 P48067 2/20 0.35
MAP3K5 Q99683 2/20 0.35
KCNH2 Q12809 2/20 0.35
PTGER1 P34995 3/20 0.34
VNN1 O95497 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
LRRK2 Q5S007 4/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2B P41595 1/20 0.31
STAT6 P42226 1/20 0.31

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
SCHEMBL6802097 0.91 PDE5A (0.36) PDE5ASLC6A9MAP3K5KCNH2PTGER1
SCHEMBL6808158 0.87 SLC6A9 (0.35) SLC6A9MAP3K5KCNH2PTGER1VNN1
SCHEMBL6807069 0.85 PDE5A (0.37) PDE5ASLC6A9MAP3K5KCNH2PTGER1
SCHEMBL6629281 0.81 PDE5A (0.41) PDE5ASLC6A9KCNH2PTGER1IRAK4
SCHEMBL6805629 0.80 PDE5A (0.42) PDE5ASLC6A9KCNH2PTGER1LMNA
SCHEMBL6806204 0.78 POLB (0.38) SLC6A9MAP3K5KCNH2PTGER1IRAK4
SCHEMBL6629643 0.76 PDE5A (0.49) PDE5ASLC6A9KCNH2LRRK2
SCHEMBL6805465 0.76 PDE5A (0.43) PDE5ASLC6A9MAP3K5KCNH2IRAK4
SCHEMBL6810517 0.73 PDE5A (0.40) PDE5ASLC6A9KCNH2LRRK2LMNA
SCHEMBL6332580 0.71 PDE5A (0.57) PDE5A

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-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A PDE5A 1/4885SLC6A9 3970/4885MAP3K5 2246/4885

“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.