SCHEMBL3165306

SCHEMBL3165306

CSc1cccc(C(=O)O)c1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.48
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
KDM1A O60341 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3164057 0.87 NPBWR1 (0.48) GPR119NPBWR1MCHR1MEN1KMT2A
SCHEMBL7401499 0.81 KDM1A (0.53) GPR119NPBWR1MCHR1KDM1AMEN1
SCHEMBL5098530 0.79 KDM1A (0.55) GPR119KDM1AMEN1KMT2AKDM4E
SCHEMBL15013973 0.78 GPR119 (0.49) GPR119NPBWR1MCHR1KDM1AMEN1
SCHEMBL15028200 0.77 GPR119 (0.55) GPR119MEN1KMT2AUSP2HPGD
SCHEMBL3161256 0.77 NPBWR1 (0.49) GPR119NPBWR1MCHR1MEN1KMT2A
SCHEMBL3160201 0.77 GPR119 (0.49) GPR119NPBWR1MCHR1MEN1KMT2A
SCHEMBL13489659 0.77 STS (0.59) GPR119NPBWR1MCHR1KDM1AMEN1
SCHEMBL3156761 0.76 GPR119 (0.54) GPR119KDM1A
SCHEMBL3168196 0.75 NPBWR1 (0.48) GPR119NPBWR1MCHR1MEN1KMT2A

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-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 GPR119 2215/4885NPBWR1 2758/4885MCHR1 4246/4885

“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.