SCHEMBL6025626

SCHEMBL6025626

COc1cc2c(Oc3ccc(C(C)C)cc3)c(C(=O)O)sc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.41
SELE P16581 3/20 0.41
EDNRA P25101 1/20 0.39
VCAM1 P19320 1/20 0.38
STING1 Q86WV6 3/20 0.37
APP P05067 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
PRNP P04156 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
MAPK10 P53779 1/20 0.36
NCOA2 Q15596 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6025930 0.89 CCNC (0.43) ICAM1SELEVCAM1STING1FNTA
SCHEMBL4771697 0.88 ICAM1 (0.40) ICAM1SELEEDNRAVCAM1STING1
SCHEMBL6026576 0.81 ESR1 (0.42) APPMEN1KMT2AHTTRXFP1
SCHEMBL6025177 0.81 DYRK1A (0.39) STING1APPMEN1KMT2AESR1
SCHEMBL6465873 0.80 CCNC (0.40) ICAM1SELEVCAM1MAPK1HTT
SCHEMBL5211846 0.79 EDNRA (0.41) ICAM1SELEEDNRAVCAM1STING1
SCHEMBL4762793 0.79 ESR1 (0.43) STING1CYP2C19RAB9AESR1BCKDK
SCHEMBL6026277 0.78 STING1 (0.41) EDNRASTING1MEN1KMT2A
SCHEMBL9372502 0.78 TTR (0.49) EDNRASTING1MEN1KMT2AHPGD
SCHEMBL5218736 0.77 ICAM1 (0.41) ICAM1SELESTING1MAPK1HTT

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 ICAM1 4657/4885SELE 2437/4885EDNRA 1852/4885

“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.