SCHEMBL3305629

SCHEMBL3305629

C=CCc1ccccc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
RBP4 P02753 3/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
GMNN O75496 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL2439748 0.80 USP30 (0.47) KDM1AGPR119RORC
SCHEMBL1260528 0.77 USP30 (0.33) GPR119RORC
SCHEMBL1260136 0.77 ALDH1A1 (0.32) MAPTKDM4EALDH1A1GPR119
SCHEMBL76722 0.76 NR1H2 (0.36)
SCHEMBL16107194 0.76 PIK3CD (0.32) LMNAMAPTKDM4EALDH1A1RORC
SCHEMBL23043429 0.75 ABCB1 (0.41) MEN1KMT2AALDH1A1GPR119RORC
SCHEMBL704571 0.75 ABCB1 (0.41) MEN1KMT2AALDH1A1GPR119RORC
SCHEMBL27223224 0.75 ABCB1 (0.41) MEN1KMT2AALDH1A1GPR119RORC
SCHEMBL6502286 0.75 HDAC1 (0.39) MEN1KMT2AGPR119RORC
SCHEMBL3305623 0.75 NCEH1 (0.40) MEN1LMNAKMT2ANPC1RAB9A

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 ADRB2 4830/4885HTR1A 3422/4885RBP4 2120/4885

“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.