SCHEMBL6026149

SCHEMBL6026149

Cc1cc2c(SC3CCCCC3)c(C(=O)O)sc2cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.37
GPR35 Q9HC97 1/20 0.35
BCKDK O14874 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
ESR1 P03372 1/20 0.33
DYRK1A Q13627 1/20 0.31
RPA1 P27694 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
EDNRA P25101 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL6026775 0.85 ICAM1 (0.36) ICAM1
SCHEMBL4771792 0.84 DYRK1A (0.36) ICAM1GPR35BCL2L1MCL1DYRK1A
SCHEMBL6026774 0.84 EDNRA (0.36) ICAM1GPR35BCKDKDYRK1AEDNRA
SCHEMBL4771984 0.82 EDNRA (0.37) ICAM1GPR35BCL2L1MCL1DYRK1A
SCHEMBL4770165 0.81 PIK3CD (0.37) ICAM1GPR35BCL2L1MCL1DYRK1A
SCHEMBL4762820 0.80 STING1 (0.43) ICAM1GPR35DYRK1AEDNRA
SCHEMBL4768131 0.78 STING1 (0.43) ICAM1GPR35DYRK1AEDNRA
SCHEMBL4766085 0.76 EDNRA (0.47) ICAM1DYRK1AEDNRA
SCHEMBL4766614 0.75 EDNRA (0.48) ICAM1DYRK1ANPSR1RXFP1EDNRA
SCHEMBL4768088 0.73 DYRK1A (0.36) ICAM1DYRK1AEDNRA

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 4657/4885GPR35 708/4885BCKDK 2044/4885

“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.