SCHEMBL3389283

SCHEMBL3389283

CSc1ccc(/C(=C\C2CCOCC2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1C1 Q04828 3/20 0.47
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GCK P35557 1/20 0.41
HAO1 Q9UJM8 1/20 0.38
PLK1 P53350 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL3389287 1.00 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1ALDH1A1TSHR
SCHEMBL2654404 0.87 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1ALDH1A1SMN1; SMN2
SCHEMBL2654402 0.87 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1ALDH1A1SMN1; SMN2
SCHEMBL2652745 0.86 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1ALDH1A1SMN1; SMN2
SCHEMBL2652741 0.86 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1ALDH1A1SMN1; SMN2
SCHEMBL3390564 0.81 NPC1 (0.41) AKR1C3ALDH1A1TSHRSMN1; SMN2GCK
SCHEMBL2665989 0.81 GCK (0.41) AKR1C1GCKKMT2A
SCHEMBL3390559 0.81 NPC1 (0.41) AKR1C3ALDH1A1TSHRSMN1; SMN2GCK
SCHEMBL2656286 0.81 GCK (0.40) ALDH1A1MAPK1SMN1; SMN2GCK
SCHEMBL3393082 0.81 ALDH1A1 (0.45) AKR1C3ALDH1A1GCKKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
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
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 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.