SCHEMBL7147188

SCHEMBL7147188

CCOC(=O)c1ccc(NC(=O)CNCC(=O)C2CC(S)CN2S(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PPARG P37231 1/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 4/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
ADRB2 P07550 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7147197 0.86 MME (0.46) MEN1KMT2ACA12CA9PPARG
SCHEMBL7140139 0.86 MME (0.46) MEN1KMT2ACA12CA9PPARG
SCHEMBL7148170 0.85 MAPT (0.53) MEN1KMT2ACA12CA9MAPT
SCHEMBL7150116 0.83 ALDH1A1 (0.45) MEN1KMT2ACA12CA9MAPT
SCHEMBL7150279 0.83 MAPT (0.46) MEN1KMT2ACA12CA9MAPT
SCHEMBL7152592 0.82 MAPT (0.44) MEN1KMT2ACA12CA9MAPT
SCHEMBL7143275 0.80 MME (0.51) MEN1KMT2ACA12CA9MAPT
SCHEMBL7149078 0.76 TP53 (0.54) KMT2AMAPTALDH1A1TSHRLMNA
SCHEMBL7149987 0.76 MME (0.45) KMT2ACA12CA9MAPTALDH1A1
SCHEMBL7134807 0.76 MME (0.45) KMT2ACA12CA9MAPTALDH1A1

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 MEN1 2985/4885KMT2A 1971/4885CA12 1229/4885

“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.