SCHEMBL4478028

SCHEMBL4478028

CCC(C(=O)O)c1ccc(S(=O)(=O)C2CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
AKR1C1 Q04828 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2514353 0.94 GCK (0.43) GCKAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL14220558 0.84 GCK (0.38) GCKMMP1MMP8MMP13ELOVL6
SCHEMBL2649189 0.82 GCK (0.50) GCK
SCHEMBL2647535 0.81 GCK (0.49) GCKKMT2A
SCHEMBL2651544 0.79 GCK (0.61) GCK
SCHEMBL2651850 0.79 GCK (0.61) GCK
SCHEMBL1863663 0.79 GCK (0.50) GCK
SCHEMBL1863660 0.79 GCK (0.50) GCK
SCHEMBL13609542 0.79 GCK (0.50) GCK
SCHEMBL14220281 0.79 GCK (0.41) GCKELOVL6

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 GCK 70/4885AKR1C3 921/4885AKR1C2 590/4885

“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.