SCHEMBL2779004

SCHEMBL2779004

COc1ccc(C(=O)N2CCC(C)(C)c3cc(C4=NNC(=O)SC4C)ccc32)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.71
PDE3A Q14432 8/20 0.71
KCNH2 Q12809 1/20 0.57
PDE4A P27815 12/20 0.45
PDE4B Q07343 12/20 0.45
PDE4C Q08493 12/20 0.45
PDE4D Q08499 12/20 0.45
ALDH1A1 P00352 2/20 0.38
RORC P51449 1/20 0.37
LMNA P02545 1/20 0.37
SPTLC2 O15270 1/20 0.37

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
SCHEMBL8556771 0.94 PDE3B (0.64) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8551918 0.94 PDE3B (0.64) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL8557091 0.94 PDE3B (0.63) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9672631 0.91 PDE3B (0.59) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9672622 0.90 KCNH2 (0.62) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9672618 0.90 KCNH2 (0.62) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9638770 0.88 KCNH2 (0.60) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9638620 0.88 KCNH2 (0.75) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9638626 0.88 KCNH2 (0.75) PDE3BPDE3AKCNH2PDE4APDE4B
SCHEMBL9638766 0.88 KCNH2 (0.60) PDE3BPDE3AKCNH2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562602-A2 IMMEDIATE RELEASE TOPICAL PHARMACEUTICAL FORMULATION FOR ENHANCEMENT OF FEMALE SEXUAL DESIRE AND RESPONSIVENESS Vivus, Inc. (US) 2005-08-17 EP claimed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
WO-2004037262-A2 IMMEDIATE RELEASE TOPICAL PHARMACEUTICAL FORMULATION FOR ENHANCEMENT OF FEMALE SEXUAL DESIRE AND RESPONSIVENESS VIVUS, INC. (US) 2004-05-06 WO claimed
US-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors VIVUS, INC. 2004-01-22 US claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
US-6156753-A Local administration of type III phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-12-05 US claimed
EP-2066174-B1 COMPOSITIONS CONTAINING ALPHA-1-ANTITRYPSIN AND METHODS FOR USE BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2017-11-08 EP disclosed
US-20170065688-A1 COMPOSITIONS CONTAINING ALPHA-1-ANTITRYPSIN AND METHODS FOR USE BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2017-03-09 US disclosed
US-20140147441-A1 COMPOSITIONS CONTAINING ALPHA-1-ANTITRYPSIN AND METHODS FOR USE THE GENERAL HOSPITAL CORPORATION (US) 2014-05-29 US disclosed
US-8623830-B2 Compositions containing α-1-antitrypsin and methods for use BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-01-07 US disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100111940-A1 COMPOSITIONS CONTAINING ALPHA-1-ANTITRYPSIN AND METHODS FOR USE BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2010-05-06 US disclosed
EP-2066174-A2 COMPOSITIONS CONTAINING ALPHA-1-ANTITRYPSIN AND METHODS FOR USE Beth Israel Deaconess Medical Center, Inc. (US) 2009-06-10 EP disclosed
US-5891904-A Use of inhibitors of phosphodiesterase IV Forssmann, Wolf-Georg (DE) 1999-04-06 US disclosed
EP-0660711-B1 NOVEL USE OF INHIBITORS OF PHOSPHODIESTERSASE IV FORSSMANN WOLF GEORG PROF DR (DE) 1999-03-31 EP disclosed
EP-0721950-B1 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GMBH (DE) 1998-05-06 EP disclosed
EP-0758233-A1 PDE IV INHIBITORS FOR TREATING MULTIPLE SCLEROSIS SCHERING AKTIENGESELLSCHAFT (DE) 1997-02-19 EP disclosed
EP-0721950-A2 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-17 EP disclosed
WO-1995028926-A1 PDE IV INHIBITORS FOR TREATING MULTIPLE SCLEROSIS SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-02 WO disclosed
WO-1994006423-A1 NOVEL USE OF INHIBITORS OF PHOSPHODIESTERSASE IV SCHERING AKTIENGESELLSCHAFT (DE) 1994-03-31 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-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors PDE3A, PDE3B, PDE12 PDE3B 2/4885PDE3A 1/4885KCNH2 2312/4885

“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.