SCHEMBL679207

SCHEMBL679207

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 12/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR3 P51677 4/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL679129 0.89 PTPRB (0.49) PTPRBMEN1KMT2ARAB9ANPC1
SCHEMBL3606140 0.83 PTPRB (0.58) PTPRBMEN1KMT2ACCR3
SCHEMBL3606138 0.83 PTPRB (0.58) PTPRBMEN1KMT2ACCR3
SCHEMBL684486 0.82 PTPRB (0.73) PTPRB
SCHEMBL679208 0.81 PTPRB (0.48) PTPRBMEN1KMT2ARAB9ACCR3
SCHEMBL8522780 0.79 PTPRB (0.46) PTPRBMEN1KMT2ARAB9ANPC1
SCHEMBL23304105 0.78 PTPRB (0.55) PTPRBMEN1KMT2ACCR3
SCHEMBL23304107 0.78 PTPRB (0.55) PTPRBMEN1KMT2ACCR3
SCHEMBL23304106 0.78 PTPRB (0.55) PTPRBMEN1KMT2ACCR3
SCHEMBL679776 0.78 PTPRB (0.51) PTPRBMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2015-02-19 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 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 (2 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-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 PTPRB 551/4885MEN1 999/4885KMT2A 3236/4885
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 PTPRB 2215/4885MEN1 4668/4885KMT2A 4778/4885

“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.