SCHEMBL7149078

SCHEMBL7149078

CCOC(=O)c1ccc(NC(=O)CNCC(=O)C2CC(S)CN2S(=O)(=O)c2cccc3cccnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 4/20 0.48
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 6/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL7149084 0.87 POLB (0.52) TP53POLBALDH1A1GAASMN1; SMN2
SCHEMBL7139216 0.87 POLB (0.52) TP53POLBALDH1A1GAASMN1; SMN2
SCHEMBL7143275 0.82 MME (0.51) TP53ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7150116 0.80 ALDH1A1 (0.45) POLBALDH1A1GAASMN1; SMN2TSHR
SCHEMBL7150098 0.79 FABP1 (0.42) TP53POLBALDH1A1GAASMN1; SMN2
SCHEMBL7148170 0.78 MAPT (0.53) POLBALDH1A1GAASMN1; SMN2TSHR
SCHEMBL7150279 0.77 MAPT (0.46) POLBALDH1A1GAASMN1; SMN2TSHR
SCHEMBL7142499 0.77 GAA (0.49) TP53POLBALDH1A1GAASMN1; SMN2
SCHEMBL7150611 0.77 GAA (0.49) TP53POLBALDH1A1GAASMN1; SMN2
SCHEMBL7147188 0.76 MEN1 (0.44) POLBALDH1A1GAASMN1; SMN2TSHR

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-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP TP53 1366/4885POLB 1465/4885ALDH1A1 767/4885

“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.