SCHEMBL997

SCHEMBL997

CCCOc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.89
PDE3B Q13370 4/20 0.77
PDE3A Q14432 4/20 0.77
PDE2A O00408 1/20 0.77
ABCC4 O15439 1/20 0.77
ABCC5 O15440 1/20 0.77
PDE6D O43924 1/20 0.77
PDE8A O60658 1/20 0.77
PDE9A O76083 1/20 0.77
ABCB11 O95342 1/20 0.77
CYP3A4 P08684 1/20 0.77
HTR1A P08908 1/20 0.77
PDE6A P16499 1/20 0.77
PDE6G P18545 1/20 0.77
PDE4A P27815 1/20 0.77
ADORA2A P29274 1/20 0.77
ADORA1 P30542 1/20 0.77
ADRA1A P35348 1/20 0.77
PDE6B P35913 1/20 0.77
PDE6C P51160 1/20 0.77

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
SCHEMBL1141 0.94 PDE5A (1.00) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL30199797 0.94 PDE5A (1.00) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL28417921 0.93 PDE5A (0.89) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL14836841 0.92 PDE5A (0.94) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL31202613 0.91 PDE5A (0.90) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL30848678 0.89 PDE5A (0.95) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL31202702 0.89 PDE5A (0.90) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL1190 0.89 PDE5A (0.90) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL24430033 0.88 PDE5A (0.89) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL25118239 0.88 PDE5A (0.88) PDE5APDE3BPDE3APDE2AABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716298-B2 Composition for reducing skin wrinkles including PDE5 inhibitor SK CHEMICALS CO., LTD. (KR) 2014-05-06 US claimed
EP-2556820-A2 COMPOSITION CONTAINING PDE5 INHIBITOR FOR RELIEVING SKIN WRINKLES SK Chemicals, Co., Ltd. (KR) 2013-02-13 EP claimed
US-20130030174-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2013-01-31 US claimed
US-20060014754-A1 Methods and compositions for treating diseases and conditions of the eye PFIZER INC. 2006-01-19 US claimed
US-20020119974-A1 Methods and compositions for treating diseases and conditions of the eye LATIES ALAN M (US) 2002-08-29 US claimed
EP-1074258-A2 Methods and compositions for treating diseases and conditions of the eye Pfizer Products Inc. (US) 2001-02-07 EP claimed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP claimed
US-9155691-B2 Composition for reducing skin wrinkles including PDE5 inhibitor SK CHEMICALS CO., LTD. (KR) 2015-10-13 US disclosed
US-20140179701-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2014-06-26 US disclosed
US-8716298-B2 Composition for reducing skin wrinkles including PDE5 inhibitor SK CHEMICALS CO., LTD. (KR) 2014-05-06 US disclosed
EP-2556820-A2 COMPOSITION CONTAINING PDE5 INHIBITOR FOR RELIEVING SKIN WRINKLES SK Chemicals, Co., Ltd. (KR) 2013-02-13 EP disclosed
US-20130030174-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2013-01-31 US disclosed
US-20060014754-A1 Methods and compositions for treating diseases and conditions of the eye PFIZER INC. 2006-01-19 US disclosed
US-20020119974-A1 Methods and compositions for treating diseases and conditions of the eye LATIES ALAN M (US) 2002-08-29 US disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-1074258-A2 Methods and compositions for treating diseases and conditions of the eye Pfizer Products Inc. (US) 2001-02-07 EP disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP 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 (2 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-20020119974-A1 Methods and compositions for treating diseases and conditions of the eye PDE6C, PDE6D, PDE5A PDE5A 3/4885PDE3B 8/4885PDE3A 6/4885
US-20060014754-A1 Methods and compositions for treating diseases and conditions of the eye PDE6C, PDE6D, PDE6A PDE5A 5/4885PDE3B 9/4885PDE3A 6/4885

“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.