SCHEMBL5764549

SCHEMBL5764549

CCOc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
CLK1 P49759 8/20 0.51
BCL2L1 Q07817 1/20 0.50
DYRK1A Q13627 4/20 0.49
DYRK1B Q9Y463 2/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
GPR35 Q9HC97 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARA Q07869 3/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL2896304 0.88 CHRNA7 (0.51) TBXAS1BCL2L1AKR1C3AKR1C2GPR35
SCHEMBL7336540 0.85 TBXAS1 (0.57) TBXAS1TSHRTP53
SCHEMBL5564937 0.84 TBXAS1 (0.59) TBXAS1CLK1BCL2L1DYRK1ADYRK1B
SCHEMBL5559819 0.84 TBXAS1 (0.61) TBXAS1CLK1BCL2L1DYRK1ADYRK1B
SCHEMBL1867721 0.83 CLK1 (0.68) CLK1BCL2L1DYRK1ADYRK1BCLK2
SCHEMBL5564274 0.82 KDM4E (0.58) TBXAS1CLK1BCL2L1DYRK1ADYRK1B
SCHEMBL5564923 0.81 TBXAS1 (0.56) TBXAS1CLK1BCL2L1DYRK1ADYRK1B
SCHEMBL5565054 0.81 TBXAS1 (0.56) TBXAS1CLK1BCL2L1DYRK1ADYRK1B
SCHEMBL5566031 0.79 TBXAS1 (0.54) TBXAS1CLK1BCL2L1DYRK1ADYRK1B
Tibenelast SCHEMBL449748 0.78 STING1 (0.54) BCL2L1GPR35ALDH1A1HPGDTSHR

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-1636211-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 2006-03-22 EP disclosed
WO-2004108716-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
US-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl 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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 TBXAS1 18/4885CLK1 3704/4885BCL2L1 512/4885

“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.