SCHEMBL1576087

SCHEMBL1576087

CCC(C(=O)O)c1ccc(SC)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 20/20 0.57
AKR1C2 P52895 20/20 0.57
AKR1C1 Q04828 3/20 0.48
PTGS1 P23219 1/20 0.48
AKR1B10 O60218 2/20 0.46
AKR1C4 P17516 2/20 0.46

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
SCHEMBL156023 0.82 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL27877121 0.82 AKR1C3 (0.38) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL4914159 0.82 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL12982967 0.80 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1PTGS1AKR1C4
SCHEMBL2795502 0.80 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL20943248 0.78 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL1590117 0.78 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL2653066 0.77 GCK (0.39) AKR1C3AKR1C2
SCHEMBL22230559 0.75 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL4201800 0.75 AKR1C3 (0.76) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172358-A1 GPCR Agonists PROSIDION LIMITED (GB) 2012-07-05 US disclosed
EP-2308840-A1 GPCR agonists Prosidion Limited (GB) 2011-04-13 EP disclosed
US-20100063081-A1 CPCR Agonists PROSIDION LIMITED (GB) 2010-03-11 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
EP-1910290-A2 GPCR AGONISTS Prosidion Limited (GB) 2008-04-16 EP disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
WO-2007003962-A2 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO 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 (3 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-20120172358-A1 GPCR Agonists GPR119, GCGR, GPR27 AKR1C3 1631/4885AKR1C2 1371/4885AKR1C1 1635/4885
US-20100063081-A1 CPCR Agonists GPR119, GCGR, GLP1R AKR1C3 646/4885AKR1C2 614/4885AKR1C1 701/4885
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.