Sugi Predict

Sugi Predict / Compounds / SCHEMBL5526075

SCHEMBL5526075

SCHEMBL5526075

CN(C#N)C(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CTSL P07711 7/20 0.50
▸ CTSS P25774 7/20 0.50
▸ CTSB P07858 5/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.40
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ CTSH P09668 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39

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
SCHEMBL7561468 0.88 CTSS (0.53) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525360 0.88 CTSL (0.50) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7590963 0.88 CTSL (0.50) SMN1; SMN2CTSLCTSSCTSBCTSK
SCHEMBL7564797 0.85 CTSL (0.48) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL5530441 0.85 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525335 0.85 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5534179 0.83 CTSL (0.54) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5526076 0.82 CTSS (0.74) SMN1; SMN2CTSLCTSSCTSBCTSK
SCHEMBL5523605 0.82 CTSL (0.53) SMN1; SMN2CTSLCTSSCTSBCTSK
SCHEMBL7478526 0.80 CTSL (0.48) CTSLCTSSCTSBCTSKUSP30

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 SMN1; SMN2 3462/4885CTSL 14/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 SMN1; SMN2 3462/4885CTSL 14/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 SMN1; SMN2 3462/4885CTSL 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.