SCHEMBL6802097

SCHEMBL6802097

CCc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2OCC(C)C)c(C(N)=O)nn1Cc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.36
SLC6A9 P48067 2/20 0.36
POLB P06746 1/20 0.36
PTGER1 P34995 3/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
KCNH2 Q12809 1/20 0.34
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP3K5 Q99683 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6803597 0.91 PDE5A (0.36) PDE5ASLC6A9PTGER1IRAK4KCNH2
SCHEMBL6806204 0.87 POLB (0.38) SLC6A9POLBPTGER1SLC16A3SLC16A1
SCHEMBL6807069 0.86 PDE5A (0.37) PDE5ASLC6A9PTGER1IRAK4KCNH2
SCHEMBL6805629 0.81 PDE5A (0.42) PDE5ASLC6A9POLBPTGER1MEN1
SCHEMBL6629281 0.81 PDE5A (0.41) PDE5ASLC6A9PTGER1IRAK4KCNH2
SCHEMBL7240689 0.80 RXFP1 (0.47) MEN1KMT2ARXFP1ALDH1A1L3MBTL1
SCHEMBL6332580 0.80 PDE5A (0.57) PDE5APOLBKMT2ARXFP1ALDH1A1
SCHEMBL6808158 0.78 SLC6A9 (0.35) SLC6A9POLBPTGER1IRAK4KCNH2
SCHEMBL6332714 0.78 AURKA (0.40) PDE5AMEN1KMT2ARXFP1NR3C1
SCHEMBL6799966 0.77 POLB (0.38) PDE5ASLC6A9POLBIRAK4MEN1

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 3970/4885POLB 1558/4885

“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.