SCHEMBL3299351

SCHEMBL3299351

COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1OC1(CCSCC1)O2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.62
PDE4D Q08499 12/20 0.55
PDE4B Q07343 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL3301762 0.94 PDE4A (0.58) PDE4APDE4DPDE4B
SCHEMBL19017997 0.91 PDE4A (0.61) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL434451 0.91 PDE4A (0.66) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3305354 0.90 PDE4A (0.49) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL5751710 0.90 PDE4A (0.65) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL6836821 0.90 PDE4A (0.65) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3304195 0.89 PDE4A (0.77) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL18857435 0.89 PDE4A (0.48) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3304549 0.88 PDE4A (0.62) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL7702419 0.87 PDE4A (0.81) PDE4APDE4DPDE4BPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP claimed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US claimed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US claimed
EP-3070091-B1 BENZODIOXOLE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2019-04-17 EP disclosed
EP-3070091-B1 BENZODIOXOLE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2019-04-17 EP disclosed
EP-3157930-B1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS LEO PHARMA AS (DK) 2018-10-17 EP disclosed
US-9908894-B2 Methods for the preparation of 1,3-benzodioxole heterocyclic compounds LEO PHARMA A/S (DK) 2018-03-06 US disclosed
US-20170137438-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS UNION therapeutics A/S (DK) 2017-05-18 US disclosed
US-9637499-B2 Benzodioxole or benzodioxepine heterocyclic compounds as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2017-05-02 US disclosed
US-9637499-B2 Benzodioxole or benzodioxepine heterocyclic compounds as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2017-05-02 US disclosed
US-9637499-B2 Benzodioxole or benzodioxepine heterocyclic compounds as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2017-05-02 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
WO-2011160632-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-12-29 WO disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
EP-2114951-A2 NOVEL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2009-11-11 EP disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 WO disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 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 (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-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS PDE3A, PDE5A, PDE3B PDE4A 6/4885PDE4D 9/4885PDE4B 10/4885
US-20170137438-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS PDE4B, PDE4A, PDE3B PDE4A 2/4885PDE4D 8/4885PDE4B 1/4885

“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.