SCHEMBL3308369

SCHEMBL3308369

COc1ccc(C(=O)Cc2ccnc3ccccc23)c2c1OC1(CCSCC1)O2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.47
CYP1A2 P05177 2/20 0.36
HIF1A Q16665 3/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HPGDS O60760 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
STAT6 P42226 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TTR P02766 1/20 0.33

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
SCHEMBL16016519 0.87 CYP1A2 (0.38) PDE4ACYP1A2KMT2A
SCHEMBL3306371 0.82 PDE4A (0.44) PDE4ACYP1A2HIF1AKMT2ACYP3A4
SCHEMBL3307492 0.80 PDE4A (0.46) PDE4AHIF1AALDH1A1HSD17B10
SCHEMBL3303735 0.79 PDE4A (0.43) PDE4AHIF1AKMT2A
SCHEMBL8173646 0.79 PDE4A (0.40) PDE4AHIF1AALDH1A1HSD17B10
SCHEMBL13395963 0.78 PDE4A (0.39) PDE4AALDH1A1HSD17B10
SCHEMBL3306949 0.78 PDE4A (0.44) PDE4AALDH1A1KMT2A
SCHEMBL3305354 0.77 PDE4A (0.49) PDE4A
SCHEMBL18857435 0.77 PDE4A (0.48) PDE4A
SCHEMBL3299351 0.76 PDE4A (0.62) PDE4A

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 11 patents. 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-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP 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
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 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
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US 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 (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-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS PDE3A, PDE5A, PDE3B PDE4A 6/4885CYP1A2 185/4885HIF1A 2396/4885

“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.