SCHEMBL2589025

SCHEMBL2589025

COc1c(OC(F)F)ccc(Br)c1OCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.46
CA1 P00915 12/20 0.46
CA9 Q16790 9/20 0.46
CA12 O43570 8/20 0.46
CA7 P43166 6/20 0.46
CA4 P22748 4/20 0.44
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2588535 0.91 PTGS2 (0.36) CA2CA1CA9CA12CA7
SCHEMBL2581967 0.77 KDM4E (0.38) CA2CA1CA9CA12CA7
SCHEMBL2591532 0.76 MEN1 (0.36) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL2594294 0.75 AKT1 (0.36) CA2CA1CA9CA12CA7
SCHEMBL7716256 0.75 MAOA (0.43) CA2CA1CA9CA12
SCHEMBL2591433 0.74 ALOX5AP (0.34) CA2CA1CA4
SCHEMBL2584271 0.73 ALDH1A1 (0.41) LMNAHTTSMN1; SMN2
SCHEMBL2589057 0.73 ALDH1A1 (0.33) CA2CA1CA4
SCHEMBL2582074 0.73 TSHR (0.48) KDM4EHTTSMN1; SMN2
SCHEMBL2590931 0.72 ALOX5AP (0.33) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A CA2 2242/4885CA1 4713/4885CA9 3286/4885

“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.