SCHEMBL7145970

SCHEMBL7145970

COC(=O)c1ccc(N(C)C(=O)[C@@H]2C[C@@H](SC(C)=O)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
ECE1 P42892 2/20 0.48
PLAU P00749 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 1/20 0.40
CCR4 P51679 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL7145972 1.00 MME (0.48) MMEACEECE1PLAUSMN1; SMN2
SCHEMBL7137935 0.91 MME (0.42) MMEACEECE1SMN1; SMN2LMNA
SCHEMBL7137936 0.91 MME (0.42) MMEACEECE1SMN1; SMN2LMNA
SCHEMBL7140037 0.88 MME (0.43) MMEACEECE1PLAUSMN1; SMN2
SCHEMBL7140041 0.88 MME (0.43) MMEACEECE1PLAUSMN1; SMN2
SCHEMBL7140526 0.86 ECE1 (0.63) MMEACEECE1PLAUSMN1; SMN2
SCHEMBL7140523 0.86 ECE1 (0.63) MMEACEECE1PLAUSMN1; SMN2
SCHEMBL7145969 0.83 PLAU (0.46) MMEACEECE1PLAUSMN1; SMN2
SCHEMBL7144003 0.82 MME (0.46) MMEACEECE1SMN1; SMN2LMNA
SCHEMBL7143783 0.82 MME (0.46) MMEACEECE1SMN1; SMN2LMNA

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 MME 99/4885ACE 44/4885ECE1 4/4885

“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.