SCHEMBL4501205

SCHEMBL4501205

CCCS(=O)(=O)c1ccc(C(CC)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.43
AKR1C2 P52895 7/20 0.43
AKR1C1 Q04828 1/20 0.43
PTGS1 P23219 1/20 0.43
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL168108 0.88 PSIP1 (0.48) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL4482850 0.81 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL2646156 0.81 GCK (0.44)
SCHEMBL1859992 0.81 GCK (0.44)
SCHEMBL1574429 0.80 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL3777417 0.80 CA2 (0.50) KDM4EALDH1A1CYP2C19
SCHEMBL23174362 0.77 PSIP1 (0.47) PTGS1ALDH1A1PTGDR2GAAL3MBTL1
SCHEMBL2514353 0.75 GCK (0.43) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL26418251 0.74 PSIP1 (0.44) ALDH1A1CYP2C9CYP2C19GAAL3MBTL1
SCHEMBL1018690 0.74 CA12 (0.57) ALDH1A1CYP2C19

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.