SCHEMBL6025152

SCHEMBL6025152

COc1cc2c(OC3CCCCC3)c(C(=O)O)sc2cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
PDE4D Q08499 10/20 0.40
PDE4B Q07343 8/20 0.40
PDE4A P27815 7/20 0.40
PDE4C Q08493 7/20 0.40
STING1 Q86WV6 3/20 0.39
EGLN1 Q9GZT9 3/20 0.37
DYRK1A Q13627 1/20 0.37
MAPK14 Q16539 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL6026200 1.00 KMT2A (0.47) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6026767 0.96 KMT2A (0.45) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6021010 0.90 KMT2A (0.51) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL4768114 0.90 KMT2A (0.51) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6020201 0.90 KMT2A (0.51) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6021708 0.89 KMT2A (0.52) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6026278 0.89 KMT2A (0.39) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6027857 0.89 PDE4D (0.41) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6026576 0.88 ESR1 (0.42) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6027478 0.88 KMT2A (0.38) KMT2APDE4DPDE4BPDE4APDE4C

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 6 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 claimed
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 US claimed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 WO claimed
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 KMT2A 3608/4885PDE4D 4521/4885PDE4B 3079/4885

“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.