SCHEMBL21090095

SCHEMBL21090095

OC(O)C(O)[C@@H]1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BLM P54132 1/20 0.31

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
SCHEMBL18464548 1.00 HIF1A (0.38) HIF1AHSD17B10NOS2NOS3NOS1
SCHEMBL22779403 0.83 HIF1A (0.37) HIF1AHSD17B10NOS2NOS3NOS1
SCHEMBL25964107 0.83 HIF1A (0.37) HIF1AHSD17B10NOS2NOS3NOS1
SCHEMBL4360524 0.81 SLC6A2 (0.39) HIF1AHSD17B10SLC6A2SLC6A4SLC6A3
SCHEMBL25972536 0.81 SLC6A2 (0.39) HIF1AHSD17B10SLC6A2SLC6A4SLC6A3
SCHEMBL19407944 0.81 HIF1A (0.36) HIF1AHSD17B10NOS2NOS3NOS1
SCHEMBL18735919 0.80
SCHEMBL4308213 0.79
SCHEMBL1132940 0.79
SCHEMBL16165636 0.78 SLC6A3 (0.35) HIF1AHSD17B10NOS2NOS3NOS1

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-20190177357-A1 ASYMMETRIC AUXILIARY GROUP WAVE LIFE SCIENCES JAPAN (JP) 2019-06-13 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-20190177357-A1 ASYMMETRIC AUXILIARY GROUP NIT2, IDH1, HBG2 HIF1A 1548/4885HSD17B10 169/4885NOS2 23/4885

“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.