SCHEMBL10076159

SCHEMBL10076159

CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
GLA P06280 2/20 0.52
PKM P14618 2/20 0.52
USP2 O75604 2/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL10076141 0.88 ALDH1A1 (0.62) ALDH1A1GLAPKMUSP2HSD17B10
SCHEMBL10076152 0.82 MEN1 (0.59) ALDH1A1MEN1KMT2A
SCHEMBL10076150 0.82 POLB (0.60) ALDH1A1GLAPKMUSP2HSD17B10
SCHEMBL10076151 0.70 EEF2K (0.52) ALDH1A1POLBCYP2C9
SCHEMBL10076130 0.70 ALDH1A1 (0.58) ALDH1A1GLAPOLBNPSR1HTT
SCHEMBL10076137 0.70 ALDH1A1 (0.66) ALDH1A1GLAHSD17B10POLBNPSR1
SCHEMBL18049255 0.69 PLAU (0.61) MEN1KMT2A
SCHEMBL10076155 0.68 MMP13 (0.53)
SCHEMBL1911513 0.68 ALDH1A1 (0.68) ALDH1A1PKMPOLBNPSR1LMNA
SCHEMBL14350981 0.68 NPSR1 (0.69) ALDH1A1GLAPOLBNPSR1HTT

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 4455/4885GLA 2364/4885PKM 429/4885

“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.