SCHEMBL6027175

SCHEMBL6027175

COc1ccc2c(Cl)c(C(=O)O)sc2c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 2/20 0.48
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
STING1 Q86WV6 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
PRNP P04156 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6025170 0.89 MAPT (0.42) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL23475064 0.87 COMT (0.43) BCKDKRXFP1STING1MAPTALDH1A1
SCHEMBL20695240 0.83 BCKDK (0.46) BCKDKMCL1BCL2L1RXFP1MAPT
SCHEMBL6840232 0.81 MCL1 (0.51) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL23475065 0.80 MAPT (0.39) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL5032108 0.79 MCL1 (0.51) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL4801701 0.77 STING1 (0.50) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL6026350 0.77 MCL1 (0.50) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL912085 0.75 BCKDK (0.49) BCKDKMCL1BCL2L1RXFP1ALDH1A1
SCHEMBL8412444 0.75 MAPT (0.52) MCL1BCL2L1RXFP1STING1MAPT

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 BCKDK 2044/4885MCL1 988/4885BCL2L1 1289/4885

“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.