SCHEMBL6025205

SCHEMBL6025205

COc1cc2c(OCC3CCCCC3)c(C(=O)OC(C)C)sc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
PLK1 P53350 2/20 0.36
SCN9A Q15858 10/20 0.36
SCN5A Q14524 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
DYRK1A Q13627 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL6026545 0.87 HTR2A (0.41) HTR2AHTR2CHTR2BPARP10PARP15
SCHEMBL6026202 0.86 KMT2A (0.38)
SCHEMBL6026363 0.81 PTGS1 (0.35)
SCHEMBL6025169 0.78 EDNRA (0.47)
SCHEMBL6021255 0.78 STING1 (0.46) PARP10PARP15PLK1TDP1DYRK1A
SCHEMBL6021540 0.78 STING1 (0.46) PARP10PARP15PLK1TDP1DYRK1A
SCHEMBL6026496 0.78 PIK3CD (0.36)
SCHEMBL6026223 0.78 STING1 (0.47)
SCHEMBL6020839 0.77 STING1 (0.47) PARP10PARP15PLK1TDP1DYRK1A
SCHEMBL6021442 0.77 STING1 (0.46) HTR2APLK1

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 HTR2A 3429/4885HTR2C 2470/4885HTR2B 1442/4885

“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.