SCHEMBL3176574

SCHEMBL3176574

CS(=O)(=O)N1CCc2c(O)cccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.57
AKR1C1 Q04828 1/20 0.57
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.44
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL14591314 0.83 ALDH1A1 (0.49) AKR1C3AKR1C1ESR1ESR2PTGDR2
SCHEMBL26517036 0.81 AKR1C3 (0.56) AKR1C3AKR1C1ESR1ESR2PTGDR2
SCHEMBL1922152 0.81 AKR1C3 (0.56) AKR1C3AKR1C1ESR1ESR2PTGDR2
SCHEMBL16417641 0.80 ESR1 (0.46) AKR1C3AKR1C1ESR1ESR2PTGDR2
SCHEMBL15935193 0.79 ESR1 (0.44) AKR1C3AKR1C1ESR1ESR2PTGDR2
SCHEMBL19957904 0.79 ESR1 (0.44) AKR1C3AKR1C1ESR1ESR2PTGDR2
SCHEMBL2103706 0.76 KMT2A (0.64) AKR1C3ESR1ESR2LMNASMN1; SMN2
SCHEMBL470075 0.75 DRD2 (0.65) BCL2L1BADDRD2DRD1DRD5
SCHEMBL14591389 0.75 HTR6 (0.65) ESR1ESR2SMN1; SMN2DRD2DRD3
SCHEMBL27950071 0.74 BRD9 (0.44) ESR1ESR2PTGDR2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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 (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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 AKR1C3 1174/4885AKR1C1 1149/4885ESR1 638/4885

“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.