SCHEMBL679208

SCHEMBL679208

CC(C)(C)[C@@H](c1ccccc1)[C@H](NC(=O)O)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 11/20 0.48
CCR3 P51677 4/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL16467581 0.89 PTPRB (0.46) PTPRBCCR3RAB9AMEN1KMT2A
SCHEMBL3606140 0.84 PTPRB (0.58) PTPRBCCR3MEN1KMT2A
SCHEMBL3606138 0.84 PTPRB (0.58) PTPRBCCR3MEN1KMT2A
SCHEMBL28828126 0.83 PTPRB (0.49) PTPRBCCR3
SCHEMBL679207 0.81 PTPRB (0.50) PTPRBCCR3GAARAB9AMEN1
SCHEMBL684486 0.80 PTPRB (0.73) PTPRBCTSK
SCHEMBL8522780 0.78 PTPRB (0.46) PTPRBCCR3GAARAB9AMEN1
SCHEMBL16030965 0.76 PTPRB (0.61) PTPRBCCR3
SCHEMBL16030968 0.76 PTPRB (0.61) PTPRBCCR3
SCHEMBL27240709 0.76 PTPRB (0.61) PTPRBCCR3

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 551/4885CCR3 1918/4885GAA 2308/4885
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 PTPRB 2215/4885CCR3 112/4885GAA 3252/4885

“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.