SCHEMBL3420058

SCHEMBL3420058

CCC(C)OC(=O)C(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
GPR119 Q8TDV5 7/20 0.39
MMP13 P45452 1/20 0.35
TSHR P16473 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL2673897 0.89 GPR119 (0.47) GPR119MMP13DPP4
SCHEMBL6058995 0.77 GPR119 (0.48) GPR119MMP13DPP4
SCHEMBL1662404 0.76 NR1H2 (0.51) NR1H2GPR119TSHRDPP4USP2
SCHEMBL19510734 0.75 GPR119 (0.44) NR1H2GPR119MMP13TSHRDPP4
SCHEMBL12179693 0.74 NR1H2 (0.47) NR1H2GPR119USP2SMN1; SMN2IDO1
SCHEMBL16419556 0.74 NR1H2 (0.48) NR1H2GPR119DPP4USP2SMN1; SMN2
SCHEMBL19510778 0.74 HPGD (0.47) GPR119MMP13DPP4USP2SMN1; SMN2
SCHEMBL344483 0.74 HPGD (0.47) GPR119MMP13DPP4USP2SMN1; SMN2
SCHEMBL344484 0.74 HPGD (0.47) GPR119MMP13DPP4USP2SMN1; SMN2
SCHEMBL334542 0.73 TSHR (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 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 (2 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-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF S1PR1, S1PR5, S1PR2 NR1H2 51/4885GPR119 31/4885MMP13 4070/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 NR1H2 51/4885GPR119 32/4885MMP13 4003/4885

“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.