SCHEMBL7618533

SCHEMBL7618533

CC(C)C[C@H](N)C(=O)N(CC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1)C(=O)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.38
▸ CTSK P43235 4/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ CTSL P07711 3/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ SLC6A9 P48067 6/20 0.34
▸ CTSB P07858 2/20 0.34
▸ CTSS P25774 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ ESRRB O95718 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33

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
SCHEMBL7611777 0.82 CTSK (0.35) CTSKCTSLSLC6A9CTSBCTSS
SCHEMBL7618538 0.82 CTSL (0.47) GBA1CTSKCTSLCTSBCTSS
SCHEMBL7609369 0.81 CTSL (0.37) CTSKFFAR1CTSLSLC6A9CTSB
SCHEMBL7815998 0.74 CTSS (0.44) GBA1CTSKFFAR1CTSLHDAC1
SCHEMBL7609927 0.73 CTSL (0.36) CTSKCTSLHDAC1SLC6A9CTSB
SCHEMBL7812726 0.72 CYP3A4 (0.35) CTSKCTSLHDAC1SLC6A9CTSB
SCHEMBL7815927 0.71 CYP3A4 (0.35) CTSKCTSLHDAC1CTSBCTSS
SCHEMBL6623377 0.71 CTSL (0.47) CTSKCTSLCTSBCTSS
SCHEMBL7819470 0.71 CTSL (0.38) CTSKFFAR1CTSLCTSBCTSS
SCHEMBL7462366 0.70 CTSS (0.53) CTSKCTSLCTSBCTSSF2

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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 — — US claimed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP claimed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP claimed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO claimed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO 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 (1 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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 GBA1 343/4885CTSK 64/4885FFAR1 3285/4885

“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.

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