SCHEMBL3302407

SCHEMBL3302407

C=Cc1cccnc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.36
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ROCK2 O75116 5/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL3302945 0.85 GPR119 (0.37) GPR119POLBROCK2GPBAR1
SCHEMBL2427449 0.81 PIK3CD (0.38)
SCHEMBL2428718 0.81 CYP3A4 (0.32) GPR119
SCHEMBL1083353 0.77 RAB9A (0.36) KDM4E
SCHEMBL1072471 0.77 RAB9A (0.36) KDM4E
SCHEMBL2439748 0.77 USP30 (0.47) GPR119
SCHEMBL1260528 0.77 USP30 (0.33) GPR119
SCHEMBL1071232 0.76 PIK3CD (0.33)
SCHEMBL2431240 0.75 RORC (0.35)
SCHEMBL1083425 0.75 GPR119 (0.34) GPR119POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC GPR119 3348/4885POLB 2914/4885KDM4E 2747/4885

“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.