SCHEMBL7140630

SCHEMBL7140630

CCOC(=O)c1cccc(N(C)C(=O)CNCC(=O)OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
SENP1 Q9P0U3 1/20 0.48
RAB9A P51151 4/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEP1B Q16820 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7140631 0.81 SENP1 (0.47) SENP1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7141207 0.80 ALDH1A1 (0.54) PKMRAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7134779 0.80 MAPT (0.65) PKMRAB9AMAPTALDH1A1NPC1
SCHEMBL7145459 0.79 NPC1 (0.51) SENP1RAB9AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7136002 0.78 NPC1 (0.50) SENP1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL24077783 0.78 RAB9A (0.60) PKMSENP1RAB9AMAPTALDH1A1
SCHEMBL30807828 0.78 RAB9A (0.60) PKMSENP1RAB9AMAPTALDH1A1
SCHEMBL6518216 0.77 PPID (0.59) PKMRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL10106412 0.74 KMT2A (0.52) SENP1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7135204 0.73 KMT2A (0.66) PKMRAB9AMAPTALDH1A1SMN1; 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 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 PKM 1208/4885SENP1 395/4885RAB9A 2425/4885

“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.