SCHEMBL7143338

SCHEMBL7143338

CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@H](S)CN2S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.53
KDM4E B2RXH2 5/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MAPK1 P28482 3/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 4/20 0.49
CNR1 P21554 2/20 0.49
MEN1 O00255 3/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 6/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 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
SCHEMBL7143335 1.00 NR1D1 (0.53) NR1D1KDM4EAPOBEC3AAPOBEC3GMAPK1
SCHEMBL7135728 0.88 KMT2A (0.45) NR1D1KDM4EAPOBEC3AAPOBEC3GMAPK1
SCHEMBL7143102 0.88 KMT2A (0.45) NR1D1KDM4EAPOBEC3AAPOBEC3GMAPK1
SCHEMBL7135749 0.84 KMT2A (0.68) KDM4EMAPK1ALOX15KMT2AMEN1
SCHEMBL7135751 0.84 KMT2A (0.68) KDM4EMAPK1ALOX15KMT2AMEN1
SCHEMBL7142130 0.84 KMT2A (0.68) KDM4EMAPK1ALOX15KMT2AMEN1
SCHEMBL7144497 0.81 NPSR1 (0.62) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL7144500 0.81 NPSR1 (0.62) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL7144786 0.80 SMN1; SMN2 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7137740 0.80 KMT2A (0.63) KMT2AMEN1RAB9AALDH1A1TSHR

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 NR1D1 1252/4885KDM4E 1295/4885APOBEC3A 1839/4885

“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.