SCHEMBL7142254

SCHEMBL7142254

CCOC(=O)c1ccc(NC(=O)CN(C)C(=O)C2CC(SCc3ccc(OC)cc3)CN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 2/20 0.42

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
SCHEMBL7142260 1.00 MAPK1 (0.50) MAPK1ATMMAPTLMNAMEN1
SCHEMBL7142250 0.85 MAPT (0.47) MAPK1MAPTLMNAMEN1KMT2A
SCHEMBL7151387 0.76 MAPK1 (0.46) MAPK1ATMMAPTLMNAMEN1
SCHEMBL7138647 0.76 MAPK1 (0.46) MAPK1ATMMAPTLMNAMEN1
SCHEMBL6949068 0.76 KMT2A (0.41) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7143288 0.71 GRIK1 (0.40) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5285064 0.71 GRIK1 (0.40) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3196017 0.71 GRIK1 (0.40) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9206135 0.70 IDO1 (0.43) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7138734 0.70 RAB9A (0.58) MAPTMEN1KMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
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
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO 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 MAPK1 4292/4885ATM 4818/4885MAPT 2428/4885

“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.