SCHEMBL10076141

SCHEMBL10076141

CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
GLA P06280 2/20 0.62
USP2 O75604 1/20 0.62
PKM P14618 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPSR1 Q6W5P4 2/20 0.56
POLB P06746 1/20 0.56
OGT O15294 1/20 0.51
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL10076159 0.88 ALDH1A1 (0.52) ALDH1A1GLAUSP2PKMHSD17B10
SCHEMBL10076150 0.87 POLB (0.60) ALDH1A1GLAUSP2PKMHSD17B10
SCHEMBL10076130 0.74 ALDH1A1 (0.58) ALDH1A1GLANPSR1POLBHTT
SCHEMBL10076137 0.74 ALDH1A1 (0.66) ALDH1A1GLAHSD17B10NPSR1POLB
SCHEMBL22500556 0.73 TP53 (0.64) ALDH1A1GLAUSP2PKMHSD17B10
SCHEMBL1911513 0.72 ALDH1A1 (0.68) ALDH1A1PKMNPSR1POLBLMNA
SCHEMBL8660702 0.71 F2 (0.58) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL16026437 0.71 ALDH1A1 (0.83) ALDH1A1PKMHSD17B10NPSR1POLB
SCHEMBL28747190 0.70 MMP2 (0.49) ALDH1A1MAPK1
SCHEMBL10076154 0.70 MMP2 (0.59) ALDH1A1SMN1; SMN2

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 2364/4885USP2 4082/4885

“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.