SCHEMBL6805629

SCHEMBL6805629

CCc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2OCC(C)C)c(C(N)=O)nn1CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.42
GPR55 Q9Y2T6 1/20 0.39
PTGER1 P34995 4/20 0.39
SLC6A9 P48067 2/20 0.37
EGFR P00533 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.36
BDKRB1 P46663 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6806219 0.90 EGFR (0.43) PDE5AEGFRKCNH2MAPTALDH1A1
SCHEMBL6629281 0.85 PDE5A (0.41) PDE5APTGER1SLC6A9KCNH2MAPT
SCHEMBL6807069 0.82 PDE5A (0.37) PDE5APTGER1SLC6A9KCNH2LMNA
SCHEMBL6802097 0.81 PDE5A (0.36) PDE5APTGER1SLC6A9KCNH2LMNA
SCHEMBL6803597 0.80 PDE5A (0.36) PDE5APTGER1SLC6A9KCNH2LMNA
SCHEMBL6805465 0.80 PDE5A (0.43) PDE5ASLC6A9KCNH2LMNAMEN1
SCHEMBL6629643 0.79 PDE5A (0.49) PDE5AGPR55SLC6A9KCNH2MAPT
SCHEMBL6810517 0.76 PDE5A (0.40) PDE5ASLC6A9KCNH2LMNATSHR
SCHEMBL6633712 0.74 SLC6A9 (0.37) SLC6A9KCNH2MAPTLMNATSHR
SCHEMBL6806895 0.72 SLC6A9 (0.38) PDE5AGPR55PTGER1SLC6A9KCNH2

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 1/4885GPR55 520/4885PTGER1 87/4885

“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.