SCHEMBL10076130

SCHEMBL10076130

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL10076150 0.78 POLB (0.60) ALDH1A1POLBNPSR1KMT2AGLA
SCHEMBL22338678 0.76 CTSK (0.48) ALDH1A1KMT2AMAPK1
SCHEMBL9048604 0.76 KMT2A (0.63) ALDH1A1POLBNPSR1KMT2AHTT
SCHEMBL1706617 0.76 CTSK (0.54) KMT2AMAPK1
SCHEMBL1707105 0.76 CTSK (0.54) KMT2AMAPK1
SCHEMBL1706616 0.76 CTSK (0.54) KMT2AMAPK1
SCHEMBL10076126 0.75 CTSK (0.50) KMT2AHTTMAPK1
SCHEMBL4933439 0.75 CTSK (0.52) KMT2A
SCHEMBL10076141 0.74 ALDH1A1 (0.62) ALDH1A1POLBNPSR1GLAHTT
SCHEMBL10076137 0.74 ALDH1A1 (0.66) ALDH1A1POLBNPSR1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 ALDH1A1 4455/4885POLB 3723/4885NPSR1 2892/4885

“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.