Sugi Predict

Sugi Predict / Compounds / SCHEMBL5416622

SCHEMBL5416622

SCHEMBL5416622

COC(=O)c1ccc(CNS(=O)(=O)N2C[C@H](S)C[C@H]2COCc2cc(F)c(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.38
▸ POLB P06746 1/20 0.36
▸ ECE1 P42892 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ RORC P51449 1/20 0.32

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
SCHEMBL5416621 1.00 DPP4 (0.38) DPP4POLBECE1L3MBTL1RAB9A
SCHEMBL5407754 0.91 KMT2A (0.36) DPP4ECE1HSD11B1
SCHEMBL5417016 0.88 ECE1 (0.34) POLBECE1CA1CA2
SCHEMBL5410527 0.88 ECE1 (0.34) POLBECE1CA1CA2
SCHEMBL5405003 0.86 POLB (0.36) DPP4POLBECE1CA1CA2
SCHEMBL5404153 0.80 HTR2C (0.33) DPP4POLBECE1
SCHEMBL5398669 0.79 ALDH1A1 (0.35) DPP4ECE1
SCHEMBL5398679 0.79 ALDH1A1 (0.35) DPP4ECE1
SCHEMBL5405407 0.78 ECE1 (0.32) ECE1
SCHEMBL5401352 0.78 ECE1 (0.32) ECE1

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 DPP4 80/4885POLB 1509/4885ECE1 4/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 DPP4 80/4885POLB 1509/4885ECE1 4/4885
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 DPP4 95/4885POLB 2466/4885ECE1 33/4885

“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.