SCHEMBL5416625

SCHEMBL5416625

CC1C(COc2ccccc2)C(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 5/20 0.33
ADRB1 P08588 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
KIF11 P52732 2/20 0.30

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
SCHEMBL5410293 0.69 KIF11 (0.36) MAPK1L3MBTL1MEN1KMT2AGRM2
SCHEMBL5407509 0.68 ECE1 (0.42) MAPK1L3MBTL1GRM2ADRB1TDP1
SCHEMBL7137605 0.68 ECE1 (0.42) MAPK1L3MBTL1GRM2ADRB1TDP1
SCHEMBL5415722 0.65 KIF11 (0.36) MAPK1L3MBTL1KIF11
SCHEMBL5415717 0.65 KIF11 (0.36) MAPK1L3MBTL1KIF11
SCHEMBL5410585 0.65 PTGIR (0.33) KIF11
SCHEMBL7696090 0.65 HCRTR2 (0.33) MMP1MMP13KIF11
SCHEMBL5410582 0.65 PTGIR (0.33) KIF11
SCHEMBL5405234 0.65 HCRTR2 (0.33) MMP1MMP13KIF11
SCHEMBL5409304 0.64 CA12 (0.38) L3MBTL1KMT2ATDP1KIF11

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 MAPK1 3403/4885L3MBTL1 3776/4885MEN1 3251/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MAPK1 3403/4885L3MBTL1 3776/4885MEN1 3251/4885
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 MAPK1 2837/4885L3MBTL1 3755/4885MEN1 2874/4885

“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.