Sugi Predict

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SCHEMBL5409672

SCHEMBL5409672

COc1ccc(CS[C@@H]2C[C@@H](CCC(=O)c3ccc(F)cc3)N(S(C)(=O)=O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SLC18A3 Q16572 4/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL5409681 1.00 RAB9A (0.40) RAB9ATDP1SLC18A3DRD2TAS2R14
SCHEMBL7140145 0.86 HTT (0.38) —
SCHEMBL7140147 0.86 HTT (0.38) —
SCHEMBL5405038 0.85 ALDH1A1 (0.43) TAS2R14NPC1
SCHEMBL5405036 0.85 ALDH1A1 (0.43) TAS2R14NPC1
SCHEMBL7136555 0.85 ALDH1A1 (0.37) TP53
SCHEMBL7136556 0.85 ALDH1A1 (0.37) TP53
SCHEMBL5420138 0.83 HTRA1 (0.41) RAB9ATDP1SLC18A3DRD2ABL1
SCHEMBL5420141 0.83 HTRA1 (0.41) RAB9ATDP1SLC18A3DRD2ABL1
SCHEMBL5401313 0.82 RAB9A (0.39) RAB9ATDP1SLC18A3DRD2

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 RAB9A 2939/4885TDP1 648/4885SLC18A3 1064/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 RAB9A 2939/4885TDP1 648/4885SLC18A3 1064/4885
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 RAB9A 1961/4885TDP1 1854/4885SLC18A3 626/4885

“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.