SCHEMBL5401200

SCHEMBL5401200

COC(=O)c1cccc(COC[C@@H]2C[C@H](OS(C)(=O)=O)CN2S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
ECE1 P42892 2/20 0.40
POLB P06746 1/20 0.40
PLAU P00749 3/20 0.40
MMP9 P14780 2/20 0.37
MMP1 P03956 2/20 0.37
ADAM17 P78536 1/20 0.37
F10 P00742 2/20 0.36
MMP13 P45452 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CCR4 P51679 2/20 0.36

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
SCHEMBL5401198 1.00 MAPT (0.41) MAPTLMNASMN1; SMN2MMEACE
SCHEMBL5414121 0.90 MAPT (0.43) MAPTLMNASMN1; SMN2MMEACE
SCHEMBL5398817 0.90 MAPT (0.40) MAPTLMNASMN1; SMN2MMEACE
SCHEMBL5399084 0.88 ECE1 (0.51) MAPTLMNASMN1; SMN2MMEACE
SCHEMBL5399088 0.88 ECE1 (0.51) MAPTLMNASMN1; SMN2MMEACE
SCHEMBL5409480 0.88 ECE1 (0.51) MAPTLMNASMN1; SMN2MMEACE
SCHEMBL5414263 0.87 MMP9 (0.41) LMNASMN1; SMN2ECE1MMP9MMP1
SCHEMBL5414258 0.87 MMP9 (0.41) LMNASMN1; SMN2ECE1MMP9MMP1
SCHEMBL5403770 0.85 PLAU (0.41) MAPTLMNASMN1; SMN2MMEACE
SCHEMBL5401094 0.85 PLAU (0.41) MAPTLMNASMN1; SMN2MMEACE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 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 (3 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MAPT 2593/4885LMNA 4696/4885SMN1; SMN2 3344/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MAPT 2593/4885LMNA 4696/4885SMN1; SMN2 3344/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 MAPT 2934/4885LMNA 4507/4885SMN1; SMN2 3121/4885

“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.