SCHEMBL5227613

SCHEMBL5227613

CCOCc1cc2sc(C(=O)O)c(Cl)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.52
MCL1 Q07820 4/20 0.46
BCL2L1 Q07817 2/20 0.46
BCKDK O14874 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PRNP P04156 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DYRK1A Q13627 2/20 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
SCHEMBL5224814 0.88 STING1 (0.55) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5229610 0.86 STING1 (0.48) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5224932 0.81 STING1 (0.69) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL4770100 0.78 DYRK1A (0.35) STING1MAPTALDH1A1KDM4EMAPK1
SCHEMBL5229127 0.77 MCL1 (0.57) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL6025665 0.76 BCKDK (0.56) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL1608352 0.74 STING1 (0.57) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5226003 0.74 MCL1 (0.57) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5228896 0.74 STING1 (0.48) STING1RXFP1MAPTALDH1A1LMNA
SCHEMBL5745806 0.73 STING1 (0.52) STING1RXFP1MAPTALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1636212-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
WO-2004108714-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
US-20040248954-A1 Cycloalkylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 US 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-20040248954-A1 Cycloalkylsulfanyl substituted benzo[b]thiophenes as therapeutic agents MALT1, BPNT1, CYP1B1 STING1 2995/4885MCL1 609/4885BCL2L1 132/4885

“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.