SCHEMBL2582074

SCHEMBL2582074

COc1c(OC(F)F)ccc(Br)c1OCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.43
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PDE4D Q08499 1/20 0.40
MIF P14174 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
CTSD P07339 1/20 0.39
PTPN1 P18031 1/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16784832 0.86 ALOX15 (0.58) TSHRALOX15HSD17B10PKMPOLB
SCHEMBL2589714 0.85 ALDH1A1 (0.48) TSHRALOX15POLBKDM4EPTPN1
SCHEMBL2591187 0.82 PDE4D (0.46) HSD17B10SMN1; SMN2PDE4DCTSDHPGD
SCHEMBL2591532 0.81 MEN1 (0.36) HSD17B10POLBSMN1; SMN2KDM4EHTT
SCHEMBL2591433 0.80 ALOX5AP (0.34) PDE4DPTPN1HPGDCASP1
SCHEMBL2589057 0.79 ALDH1A1 (0.33) PDE4D
SCHEMBL2584271 0.79 ALDH1A1 (0.41) POLBSMN1; SMN2HPGDHTTMEN1
SCHEMBL2590931 0.78 ALOX5AP (0.33) PDE4DHTTMEN1KMT2A
SCHEMBL2585825 0.77 PARP10 (0.44) TSHRSMN1; SMN2KDM4EHTT
SCHEMBL2591340 0.76 NUDT1 (0.35) HTTMEN1KMT2A

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 TSHR 2208/4885ALOX15 1181/4885HSD17B10 317/4885

“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.