SCHEMBL6026417

SCHEMBL6026417

O=C(O)c1sc2cc(F)c(O)cc2c1OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
KMT2A Q03164 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
ESR1 P03372 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
BCKDK O14874 1/20 0.34
NMT1 P30419 2/20 0.34
DYRK1A Q13627 1/20 0.34
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
APP P05067 1/20 0.33
PDE4D Q08499 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL6025152 0.86 KMT2A (0.47) KMT2ATHRATHRBPTGS1PTGS2
SCHEMBL6026200 0.86 KMT2A (0.47) KMT2ATHRATHRBPTGS1PTGS2
SCHEMBL6026420 0.84 COMT (0.36) KMT2ATHRATHRBESR1PTGS1
SCHEMBL6025189 0.83 PDE4D (0.38) KMT2ATHRATHRBPTGS1PTGS2
SCHEMBL6026278 0.82 KMT2A (0.39) KMT2ATHRATHRBPTGS1PTGS2
SCHEMBL6026767 0.82 KMT2A (0.45) KMT2APTGS1PTGS2PDE4DPDE4A
SCHEMBL4768114 0.80 KMT2A (0.51) KMT2ATHRATHRBDYRK1APDE4D
SCHEMBL6021010 0.80 KMT2A (0.51) KMT2ATHRATHRBDYRK1APDE4D
SCHEMBL6020201 0.80 KMT2A (0.51) KMT2ATHRATHRBDYRK1APDE4D
SCHEMBL6021708 0.79 KMT2A (0.52) KMT2ADYRK1APDE4DPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664037-A1 HALO SUBSTITUTED BENZO [B] THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-06-07 EP disclosed
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 US disclosed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 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-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents HCLS1, BRI3BP, BRPF1 GPR35 708/4885KMT2A 3608/4885THRA 1400/4885

“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.