SCHEMBL7144635

SCHEMBL7144635

O=C(CCC1CC(S)CN1S(=O)(=O)c1ccc2ccccc2c1)NCc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
ECE1 P42892 4/20 0.44
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.43
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL7142537 1.00 LMNA (0.49) LMNATP53KMT2AHPGDECE1
SCHEMBL7143073 0.93 ECE1 (0.44) LMNATP53KMT2AHPGDECE1
SCHEMBL7146973 0.93 ECE1 (0.44) LMNATP53KMT2AHPGDECE1
SCHEMBL7136736 0.88 ECE1 (0.43) LMNATP53KMT2AHPGDECE1
SCHEMBL7141600 0.88 ECE1 (0.43) LMNATP53KMT2AHPGDECE1
SCHEMBL7138527 0.87 ECE1 (0.47) LMNATP53ECE1MMEACE
SCHEMBL7145542 0.87 ECE1 (0.47) LMNATP53ECE1MMEACE
SCHEMBL7142578 0.83 LMNA (0.45) LMNATP53KMT2AHPGDECE1
SCHEMBL7142580 0.83 LMNA (0.45) LMNATP53KMT2AHPGDECE1
SCHEMBL5404984 0.83 LMNA (0.47) LMNATP53HPGDECE1MME

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 LMNA 4821/4885TP53 1366/4885KMT2A 1971/4885

“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.