SCHEMBL3903263

SCHEMBL3903263

COCOc1ccc2sc(C=O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.54
BACE1 P56817 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CA2 P00918 2/20 0.38
CLK1 P49759 4/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK1B Q9Y463 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36

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
SCHEMBL13802138 0.85 BACE1 (0.40) CYP2A6BACE1PDE3BPDE3ACA2
SCHEMBL31697962 0.83 CYP2A6 (0.62) CYP2A6BACE1PDE3BPDE3ACA2
SCHEMBL2633018 0.83 CYP2A6 (0.62) CYP2A6BACE1PDE3BPDE3ACA2
SCHEMBL3912125 0.82 CLK1 (0.40) CYP2A6BACE1CLK1DYRK1ADYRK1B
SCHEMBL3912118 0.82 CLK1 (0.40) CYP2A6BACE1CLK1DYRK1ADYRK1B
SCHEMBL13790852 0.79 FDPS (0.40) BACE1CA2CLK1
SCHEMBL13791095 0.78 BACE1 (0.44) BACE1PDE3BPDE3ACA2CLK1
SCHEMBL21406016 0.77 ALOX5 (0.54) CYP2A6CA2
SCHEMBL13790850 0.76 BACE1 (0.45) CYP2A6BACE1PDE3BPDE3ACA2
SCHEMBL25279289 0.75 CYP2A6 (0.42) CYP2A6

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
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 CYP2A6 341/4885BACE1 1391/4885PDE3B 3541/4885

“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.