SCHEMBL3310033

SCHEMBL3310033

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL2182044 0.81 NR1H2 (0.35) NR1H2
SCHEMBL76722 0.81 NR1H2 (0.36) NR1H2
SCHEMBL23942085 0.80 NR1H2 (0.36) NR1H2
SCHEMBL2146337 0.80 NR1H2 (0.36) NR1H2
SCHEMBL18321103 0.80 NR1H2 (0.36) NR1H2
SCHEMBL77330 0.79 PRMT5 (0.39) NR1H2MEN1KMT2A
SCHEMBL704571 0.78 ABCB1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL27223224 0.78 ABCB1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL23043429 0.78 ABCB1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL3306426 0.77 RORC (0.36) NR1H2

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 NR1H2 1166/4885MEN1 4761/4885ALDH1A1 1199/4885

“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.