SCHEMBL4298612

SCHEMBL4298612

Cc1cccc2scc(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.37
CMA1 P23946 3/20 0.37
CYP2A6 P11509 4/20 0.37
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.34
DYRK3 O43781 2/20 0.33
MAP4K4 O95819 2/20 0.33
EGFR P00533 2/20 0.33
PIM1 P11309 2/20 0.33
CLK2 P49760 2/20 0.33
IRAK1 P51617 2/20 0.33
CSNK2A1 P68400 2/20 0.33
MAP4K2 Q12851 2/20 0.33
DYRK1A Q13627 2/20 0.33
HIPK4 Q8NE63 2/20 0.33
AURKB Q96GD4 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
PIM3 Q86V86 1/20 0.33
SRPK1 Q96SB4 1/20 0.33

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
SCHEMBL2092548 0.83 CYP2A6 (0.41) CYP2A6TSHRMAPTALDH1A1CYP1A2
SCHEMBL8404359 0.80 CTSG (0.37) CTSGCMA1CYP2A6TSHRACHE
SCHEMBL3150930 0.80 LMNA (0.41) CYP2A6TSHRMAPTDYRK3MAP4K4
SCHEMBL6327715 0.77 ALDH1A1 (0.41) CTSGCMA1CYP2A6TSHRACHE
SCHEMBL23980164 0.75 ACHE (0.39) CTSGCMA1CYP2A6TSHRACHE
SCHEMBL20787934 0.75 CTSG (0.35) CTSGCMA1CYP2A6TSHRACHE
SCHEMBL5178307 0.75 TRPA1 (0.41) CTSGCMA1CYP2A6MAPTSMN1; SMN2
SCHEMBL17140136 0.75 CTSG (0.35) CTSGCMA1CYP2A6TSHRACHE
SCHEMBL13888151 0.72 CTSG (0.47) CTSGCMA1CYP2A6SMN1; SMN2ALDH1A1
SCHEMBL10692123 0.71 CYP2A6 (0.36) CYP2A6MAPTDYRK3MAP4K4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264663-A1 3-HYDROXYMETHYLBENZO[b]THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION TEIJEN PHARMA LIMITED (JP) 2009-10-22 US disclosed
US-20090264663-A1 3-HYDROXYMETHYLBENZO[b]THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION TEIJEN PHARMA LIMITED (JP) 2009-10-22 US disclosed
EP-1947096-A1 3-HYDROXYMETHYLBENZO[b]THIOPHENE DERIVATIVE AND METHOD FOR PRODUCING SAME Teijin Pharma Limited (JP) 2008-07-23 EP disclosed
EP-1947096-A1 3-HYDROXYMETHYLBENZO[b]THIOPHENE DERIVATIVE AND METHOD FOR PRODUCING SAME Teijin Pharma Limited (JP) 2008-07-23 EP disclosed
US-4737516-A FUNGICIDES SANDOZ LTD. (CH) 1988-04-12 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-20090264663-A1 3-HYDROXYMETHYLBENZO[b]THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION CMA1, TPSB2, TPSAB1 CTSG 196/4885CMA1 1/4885CYP2A6 169/4885

“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.