Sugi Predict

Sugi Predict / Compounds / SCHEMBL5528969

SCHEMBL5528969

SCHEMBL5528969

N#CCNC(=O)C(CNC(=O)c1cccc(Oc2ccccc2)c1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.56
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ CTSL P07711 4/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSB P07858 2/20 0.49
▸ CTSK P43235 1/20 0.49
▸ EGLN2 Q96KS0 2/20 0.47
▸ EGLN1 Q9GZT9 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ PREP P48147 1/20 0.43

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
SCHEMBL5529207 0.92 ALDH1A1 (0.54) NPC1RAB9ACTSLCTSSCTSB
SCHEMBL5529016 0.90 RAB9A (0.59) PKMNPC1RAB9ACTSLCTSS
SCHEMBL5525342 0.89 CTSL (0.60) RAB9ACTSLCTSSCTSBCTSK
SCHEMBL5520691 0.89 CTSL (0.50) PKMCTSLCTSSCTSBCTSK
SCHEMBL5534377 0.89 CTSL (0.49) PKMNPC1RAB9ACTSLCTSS
SCHEMBL5522960 0.88 TAS1R3 (0.51) PKMRAB9ACTSLCTSSCTSB
SCHEMBL5528527 0.88 CTSL (0.48) PKMCTSLCTSSCTSBCTSK
SCHEMBL5526266 0.88 CTSL (0.53) NPC1RAB9ACTSLCTSSCTSB
SCHEMBL7562354 0.88 CTSL (0.48) RAB9ACTSLCTSSCTSBCTSK
SCHEMBL6592939 0.87 CTSL (0.47) RAB9ACTSLCTSSCTSBCTSK

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 — — US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PKM 3143/4885NPC1 545/4885RAB9A 2240/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PKM 3143/4885NPC1 545/4885RAB9A 2240/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 PKM 3143/4885NPC1 545/4885RAB9A 2240/4885

“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.