SCHEMBL5004882

SCHEMBL5004882

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3OCC)nc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.82
PDE3B Q13370 3/20 0.82
PDE3A Q14432 3/20 0.82
ABCC4 O15439 2/20 0.78
PDE2A O00408 1/20 0.78
ABCC5 O15440 1/20 0.78
PDE6D O43924 1/20 0.78
PDE8A O60658 1/20 0.78
PDE9A O76083 1/20 0.78
ABCB11 O95342 1/20 0.78
CYP3A4 P08684 1/20 0.78
HTR1A P08908 1/20 0.78
PDE6A P16499 1/20 0.78
PDE6G P18545 1/20 0.78
PDE4A P27815 1/20 0.78
ADORA2A P29274 1/20 0.78
ADORA1 P30542 1/20 0.78
ADRA1A P35348 1/20 0.78
PDE6B P35913 1/20 0.78
PDE6C P51160 1/20 0.78

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
SCHEMBL14836633 0.97 PDE5A (0.78) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL5008153 0.93 PDE5A (0.86) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL14946627 0.91 PDE5A (0.89) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL7902595 0.91 PDE5A (0.83) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL6096363 0.91 PDE5A (0.87) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL30848678 0.90 PDE5A (0.95) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL5128871 0.90 PDE5A (0.81) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL5008158 0.89 PDE5A (0.81) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL29144808 0.88 PDE5A (0.94) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL5683880 0.88 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315729-B1 COMPOUNDS IN THE FORM OF HOMODIMERIC OR HETERODIMERIC PRODRUGS; PROCESS FOR OBTAINING THESE PRODRUGS AND THEIR ACCEPTABLE PHARMACEUTICAL SALTS AND USE OF COMPOUNDS IN THE TREATMENT OF PHOSPHODIESTERASES-MEDIATED DISEASES OR DYSFUNCTION CRISTALIA PROD QUIMICOS FARM (BR) 2008-01-09 EP disclosed
US-7148350-B2 Compounds in the form of homodimeric or heterodimeric pro-drugs; process for obtaining these pro-drugs and their acceptable pharmaceutical salts and use of compounds in the treatment of phosphodiesterases-mediated diseases or dysfunction CRISTALIA PROD.QUI.FARM. LTDA (BR) 2006-12-12 US disclosed
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
WO-1999064033-A9 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO 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-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 PDE5A 1814/4885PDE3B 2025/4885PDE3A 2711/4885

“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.