SCHEMBL3907282

SCHEMBL3907282

CCOC(=O)C(C)(C)SCc1cc2cc(OCOC)ccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.36
CA2 P00918 1/20 0.34
STING1 Q86WV6 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CLK1 P49759 2/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPOX P50336 6/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
ABCB11 O95342 1/20 0.32

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
SCHEMBL13791184 0.83 BACE1 (0.40) PPARACA2CLK1DYRK1ADYRK1B
SCHEMBL3901493 0.82 DYRK1A (0.41) CA2STING1ALDH1A1CLK1PPOX
SCHEMBL13802157 0.79 BACE1 (0.35) PPARACA2CLK1DYRK1ADYRK1B
SCHEMBL3914986 0.79 BACE1 (0.38) CA2ALDH1A1CLK1DYRK1ADYRK1B
SCHEMBL3900541 0.77 F9 (0.39) STING1ALDH1A1CLK1F9F10
SCHEMBL3902974 0.76 CLK1 (0.46) PPARASTING1ALDH1A1CLK1F9
SCHEMBL13790850 0.74 BACE1 (0.45) CA2ALDH1A1CLK1NPC1TP53
SCHEMBL3905190 0.73 CYP2A6 (0.47) CA2CLK1F9F10DYRK1A
SCHEMBL13802155 0.72 BACE1 (0.43) CA2ALDH1A1CLK1NPC1TP53
SCHEMBL13790852 0.70 FDPS (0.40) CA2ALDH1A1CLK1CYP1A2CYP3A4

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
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 PPARA 294/4885CA2 1376/4885STING1 1350/4885

“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.