SCHEMBL3801916

SCHEMBL3801916

COc1ccc(Cc2nnc(NC(=O)O)s2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.44
GUSB P08236 1/20 0.43
GLS O94925 1/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7916014 0.93 POLB (0.47) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4329674 0.92 CFTR (0.51) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3470071 0.90 MEN1 (0.46) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3809587 0.90 MEN1 (0.47) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL13865488 0.89 ALDH1A1 (0.41) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3470597 0.88 MEN1 (0.45) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3471206 0.87 MEN1 (0.44) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3469510 0.87 MEN1 (0.44) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3469322 0.86 MEN1 (0.44) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3469371 0.84 GAA (0.42) CFTRMEN1KMT2AALDH1A1KDM4E

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
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 EP disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CFTR 2246/4885MEN1 3649/4885KMT2A 1434/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CFTR 2246/4885MEN1 3649/4885KMT2A 1434/4885

“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.