Sugi Predict

Sugi Predict / Compounds / SCHEMBL5420124

SCHEMBL5420124

SCHEMBL5420124

COc1ccc(CS[C@H]2CN[C@H](CCCO)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.37
▸ APP P05067 1/20 0.35
▸ CYP2D6 P10635 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL5420125 1.00 IDO1 (0.37) IDO1APPCYP2D6LMNAMAPK1
SCHEMBL5422480 0.79 ALOX5 (0.37) CYP2D6LMNAMAPK1SMN1; SMN2HIF1A
SCHEMBL5422482 0.79 ALOX5 (0.37) CYP2D6LMNAMAPK1SMN1; SMN2HIF1A
SCHEMBL5404099 0.77 RAB9A (0.39) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5404103 0.77 RAB9A (0.39) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL7141743 0.77 HTRA1 (0.37) ALDH1A1
SCHEMBL5285064 0.75 GRIK1 (0.40) IDO1CYP2D6LMNAMAPK1SMN1; SMN2
SCHEMBL7143288 0.75 GRIK1 (0.40) IDO1CYP2D6LMNAMAPK1SMN1; SMN2
SCHEMBL3196017 0.75 GRIK1 (0.40) IDO1CYP2D6LMNAMAPK1SMN1; SMN2
SCHEMBL9206135 0.74 IDO1 (0.43) IDO1CYP2D6LMNAMAPK1SMN1; SMN2

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 IDO1 203/4885APP 1472/4885CYP2D6 3455/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 IDO1 203/4885APP 1472/4885CYP2D6 3455/4885
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 IDO1 163/4885APP 1215/4885CYP2D6 4167/4885

“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.