Sugi Predict

Sugi Predict / Compounds / SCHEMBL5527601

SCHEMBL5527601

SCHEMBL5527601

N#CCNC(=O)C(CCCNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.54
▸ CTSL P07711 7/20 0.50
▸ CTSS P25774 6/20 0.50
▸ CTSK P43235 4/20 0.50
▸ CTSB P07858 3/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.49
▸ NAAA Q02083 1/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4A O75164 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL5529197 0.92 EPHX2 (0.60) EPHX2CTSLCTSSCTSKCTSB
SCHEMBL5517758 0.84 CTSK (0.61) CTSLCTSSCTSKCTSBNPC1
SCHEMBL7560036 0.80 NAAA (0.52) EPHX2CTSLCTSSCTSKCTSB
SCHEMBL6264972 0.78 CTSS (0.57) CTSLCTSSCTSKCTSB
SCHEMBL4633788 0.77 NPC1 (0.60) EPHX2HDAC7NAAANPC1RAB9A
SCHEMBL5529775 0.77 CTSK (0.60) CTSLCTSSCTSKCTSBNPC1
SCHEMBL6443540 0.77 CTSK (0.60) CTSLCTSSCTSKCTSBNPC1
SCHEMBL2863808 0.77 GAA (0.61) CTSLCTSSCTSKCTSBNAAA
SCHEMBL6444782 0.77 CTSK (0.53) CTSLCTSSCTSKCTSBNPC1
SCHEMBL5526376 0.76 EPHX2 (0.52) EPHX2CTSLCTSSCTSKCTSB

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 6 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
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 — — EP 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 EPHX2 640/4885CTSL 14/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 EPHX2 640/4885CTSL 14/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 EPHX2 640/4885CTSL 14/4885CTSS 10/4885

“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.