SCHEMBL4480050

SCHEMBL4480050

CCC(C(=O)O)c1ccc(SCOC)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.49
AKR1C2 P52895 13/20 0.49
AKR1C1 Q04828 2/20 0.49
PTGS1 P23219 1/20 0.49
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 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
SCHEMBL167990 0.83 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL4488102 0.81 AKR1C3 (0.44) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL2646897 0.79 FFAR1 (0.36) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL1574429 0.79 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL1624921 0.78 SLC6A4 (0.52) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL23193690 0.78 PTGS2 (0.42) AKR1C3AKR1C2AKR1C1PTGS1GAA
SCHEMBL2658173 0.76 GCK (0.38)
SCHEMBL22095156 0.75 AKR1C3 (0.73) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL1587133 0.75 AKR1C3 (0.73) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL11157705 0.74 MEN1 (0.54) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 AKR1C3 921/4885AKR1C2 590/4885AKR1C1 782/4885

“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.