SCHEMBL6026545

SCHEMBL6026545

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP15 Q460N3 1/20 0.41
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
PLK1 P53350 2/20 0.39
SCN9A Q15858 8/20 0.39
DYRK1A Q13627 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
STING1 Q86WV6 1/20 0.38
SCN5A Q14524 2/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL6021540 0.91 STING1 (0.46) PARP10PARP15THRATHRBPLK1
SCHEMBL6021255 0.91 STING1 (0.46) PARP10PARP15THRATHRBPLK1
SCHEMBL6020839 0.90 STING1 (0.47) PARP10PARP15THRATHRBPLK1
SCHEMBL6021329 0.88 STING1 (0.47) PARP10PARP15THRATHRBPLK1
SCHEMBL6025205 0.87 HTR2A (0.39) HTR2AHTR2CHTR2BPARP10PARP15
SCHEMBL6021022 0.85 STING1 (0.49) HTR2AHTR2CHTR2BPARP10PARP15
SCHEMBL6025152 0.84 KMT2A (0.47) THRATHRBDYRK1ASTING1
SCHEMBL6026200 0.84 KMT2A (0.47) THRATHRBDYRK1ASTING1
SCHEMBL6026767 0.81 KMT2A (0.45) STING1
SCHEMBL4762895 0.80 NPC1 (0.42) PLK1DYRK1ATDP1STING1

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.