SCHEMBL6407732

SCHEMBL6407732

O=S(=O)(F)c1ccc(OCC#CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA4 P22748 1/20 0.46
ADAM17 P78536 18/20 0.44
MMP9 P14780 12/20 0.44
MMP13 P45452 12/20 0.44
MMP1 P03956 11/20 0.44
ADAM10 O14672 2/20 0.42
MMP3 P08254 2/20 0.42
ADAM9 Q13443 2/20 0.42
MMP2 P08253 4/20 0.42
MMP8 P22894 3/20 0.42
MMP7 P09237 2/20 0.42
MMP14 P50281 1/20 0.41

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
SCHEMBL5657755 0.85 ADAM17 (0.46) CA12CA1CA2CA7CA9
SCHEMBL5659505 0.83 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5659508 0.83 ADAM17 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6409762 0.83 ADAM17 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6275169 0.83 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6414957 0.81 ADAM17 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5657792 0.81 ADAM17 (0.63) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL10532742 0.77 EPHX2 (0.46)
SCHEMBL10578255 0.75 ADAM17 (0.46) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL10572381 0.73 CA12 (0.44) CA12CA1CA2CA7CA9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272928-A1 Method for preparing hydroxamic acids WYETH (US) 2005-12-08 US claimed
EP-1534707-A1 SUBSTITUTED 2,4-DIHYDRO-PYRROLO (3, 4-B) -QUINOLIN-9-ONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-01 EP claimed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP claimed
US-6800625-B2 FOR THERAPY OF SEXUAL DYSFUNCTION JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-05 US claimed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US claimed
US-20040006079-A1 SUBSTITUTED 2,4-DIHYDRO-PYRROLO[3,4-B]QUINOLIN-9-ONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS JENSEN PHARMACEUTICAL N.V. (BE) 2004-01-08 US claimed
WO-2004000842-A1 SUBSTITUTED 2,4-DIHYDRO-PYRROLO (3, 4-B) -QUINOLIN-9-ONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-31 WO claimed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US claimed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP claimed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US claimed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO claimed
EP-1534707-A1 SUBSTITUTED 2,4-DIHYDRO-PYRROLO (3, 4-B) -QUINOLIN-9-ONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-01 EP disclosed
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
WO-2004000842-A1 SUBSTITUTED 2,4-DIHYDRO-PYRROLO (3, 4-B) -QUINOLIN-9-ONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-31 WO disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 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 (5 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B CA12 4745/4885CA1 4431/4885CA2 3080/4885
US-20040006079-A1 SUBSTITUTED 2,4-DIHYDRO-PYRROLO[3,4-B]QUINOLIN-9-ONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE3B, PDE5A CA12 4565/4885CA1 3957/4885CA2 1751/4885
US-20050272928-A1 Method for preparing hydroxamic acids H1-5, HDAC5, PGA5 CA12 168/4885CA1 23/4885CA2 205/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B CA12 4708/4885CA1 4336/4885CA2 3052/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B CA12 4708/4885CA1 4336/4885CA2 3052/4885

“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.