SCHEMBL6807069

SCHEMBL6807069

CCc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2OCC(C)C)c(C(N)=O)nn1Cc1nccn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.37
SLC6A9 P48067 2/20 0.36
KCNH2 Q12809 2/20 0.35
PTGER1 P34995 3/20 0.33
NR3C1 P04150 3/20 0.33
BRD4 O60885 1/20 0.33
MAP3K5 Q99683 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
DHODH Q02127 1/20 0.31
LMNA P02545 2/20 0.31
CCR5 P51681 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
MAPK1 P28482 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 0.86 PDE5A (0.36) PDE5ASLC6A9KCNH2PTGER1NR3C1
SCHEMBL6803597 0.85 PDE5A (0.36) PDE5ASLC6A9KCNH2PTGER1MAP3K5
SCHEMBL6805629 0.82 PDE5A (0.42) PDE5ASLC6A9KCNH2PTGER1LMNA
SCHEMBL6629281 0.82 PDE5A (0.41) PDE5ASLC6A9KCNH2PTGER1BRD4
SCHEMBL6805465 0.78 PDE5A (0.43) PDE5ASLC6A9KCNH2MAP3K5IRAK4
SCHEMBL6629643 0.77 PDE5A (0.49) PDE5ASLC6A9KCNH2DHODH
SCHEMBL6810517 0.74 PDE5A (0.40) PDE5ASLC6A9KCNH2BRD4LMNA
SCHEMBL6442012 0.74 PDE5A (0.70) PDE5A
SCHEMBL6806219 0.73 EGFR (0.43) PDE5AKCNH2BRD4
SCHEMBL6806204 0.73 POLB (0.38) SLC6A9KCNH2PTGER1NR3C1MAP3K5

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 3970/4885KCNH2 1192/4885

“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.