SCHEMBL20802463

SCHEMBL20802463

CC(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MME P08473 3/20 0.51
▸ ACE P12821 2/20 0.51
▸ ACE2 Q9BYF1 2/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL19575793 0.88 MME (0.67) NPSR1MMEACEACE2NPC1
SCHEMBL25003547 0.87 NPSR1 (0.51) NPSR1MMEACEACE2NPC1
SCHEMBL17468460 0.86 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL12863002 0.86 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL244885 0.86 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL7942092 0.85 NPSR1 (0.50) NPSR1MMEACEACE2NPC1
SCHEMBL684246 0.84 NPSR1 (0.55) NPSR1MMEACEACE2NPC1
SCHEMBL683352 0.84 NPSR1 (0.55) NPSR1MMEACEACE2NPC1
SCHEMBL26872737 0.84 NPSR1 (0.51) NPSR1MMEACEACE2NPC1
SCHEMBL12862963 0.83 NPSR1 (0.54) NPSR1MMEACEACE2MMP1

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-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint Pharmaceuticals, Inc. 2019-03-14 — — 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-20190076405-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM NPSR1 2466/4885MME 1194/4885ACE 497/4885

“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.

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