SCHEMBL5229610

SCHEMBL5229610

COc1cc2c(Cl)c(C(=O)O)sc2cc1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.48
DYRK1A Q13627 1/20 0.47
MCL1 Q07820 3/20 0.46
BCL2L1 Q07817 1/20 0.45
BCKDK O14874 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
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

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
SCHEMBL5227613 0.86 STING1 (0.52) STING1DYRK1AMCL1BCL2L1BCKDK
SCHEMBL5224814 0.84 STING1 (0.55) STING1DYRK1AMCL1BCL2L1BCKDK
SCHEMBL4772079 0.79 NMT1 (0.36) DYRK1AALDH1A1EDNRAPLK1
SCHEMBL5224932 0.77 STING1 (0.69) STING1DYRK1AMCL1BCL2L1BCKDK
SCHEMBL9377315 0.76 STING1 (0.55) STING1DYRK1AMAPTLMNAGAA
SCHEMBL1609241 0.75 STING1 (0.54) STING1DYRK1AMAPTLMNAGAA
SCHEMBL1608173 0.75 STING1 (0.54) STING1DYRK1AMAPTLMNAGAA
SCHEMBL9371330 0.74 EDNRA (0.56) STING1SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL5229127 0.73 MCL1 (0.57) STING1DYRK1AMCL1BCL2L1BCKDK
SCHEMBL6025665 0.72 BCKDK (0.56) STING1DYRK1AMCL1BCL2L1BCKDK

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 2995/4885DYRK1A 3978/4885MCL1 609/4885

“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.