Sugi Predict

Sugi Predict / Compounds / SCHEMBL12468262

SCHEMBL12468262

SCHEMBL12468262

CCOC(=O)NC(Cc1ccccc1)C(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TACR1 P25103 2/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ ACE P12821 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL13998432 0.90 CTSL (0.64) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7487527 0.89 CTSG (0.55) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL13970302 0.89 ACE (0.53) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7493291 0.89 CTSG (0.55) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7487532 0.89 CTSG (0.55) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL10964365 0.88 MMP8 (0.56) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL8921709 0.88 POLB (0.51) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL996291 0.88 L3MBTL1 (0.58) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL15355011 0.88 POLB (0.51) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL3769914 0.88 L3MBTL1 (0.58) CTSLCTSBCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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 (4 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CTSL 69/4885CTSB 129/4885CTSS 67/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSL 69/4885CTSB 129/4885CTSS 67/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSL 10/4885CTSB 41/4885CTSS 31/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSL 63/4885CTSB 142/4885CTSS 77/4885

“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.