SCHEMBL7140628

SCHEMBL7140628

CCOC(=O)c1cccc(NCC(=O)CN(C)C(=O)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
MAPT P10636 7/20 0.51
SENP1 Q9P0U3 1/20 0.48
PPIA P62937 1/20 0.47
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CDC25B P30305 1/20 0.44
MEP1B Q16820 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
THRB P10828 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 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
SCHEMBL7134786 0.85 MAPT (0.64) RAB9AMAPTSENP1PPIANPC1
SCHEMBL30807828 0.82 RAB9A (0.60) RAB9AMAPTSENP1PPIANPC1
SCHEMBL24077783 0.82 RAB9A (0.60) RAB9AMAPTSENP1PPIANPC1
SCHEMBL7141206 0.80 CA1 (0.54) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7140631 0.79 SENP1 (0.47) RAB9AMAPTSENP1NPC1SMN1; SMN2
SCHEMBL10106419 0.76 MAPT (0.65) RAB9AMAPTSENP1NPC1SMN1; SMN2
SCHEMBL14435084 0.76 KMT2A (0.59) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL30353836 0.76 KMT2A (0.59) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7135207 0.75 KMT2A (0.65) RAB9AMAPTPPIANPC1SMN1; SMN2
SCHEMBL14129852 0.75 PRSS1 (0.45) RAB9AMAPTNPC1ALDH1A1LMNA

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 RAB9A 2425/4885MAPT 2428/4885SENP1 395/4885

“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.