SCHEMBL7465826

SCHEMBL7465826

CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PSMB5 P28074 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ CTSL P07711 4/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 2/20 0.42

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
SCHEMBL6923765 0.91 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1ALDH1A1KDM4ENPSR1
SCHEMBL7464550 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1ALDH1A1KDM4ENPSR1
SCHEMBL7463889 0.84 CTSL (0.49) PSMB5CTSLCTSSCTSBCTSK
SCHEMBL6927425 0.83 CTSL (0.55) CTSLCTSSCTSBCTSKCTSV
SCHEMBL7472132 0.83 CTSL (0.39) SMN1; SMN2MAPK1ALDH1A1LMNARAB9A
SCHEMBL7464820 0.83 CTSL (0.47) SMN1; SMN2ALDH1A1KDM4EPSMB5CTSL
SCHEMBL7467469 0.82 CTSL (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7468905 0.82 CTSK (0.53) CTSLCTSSCTSBCTSK
SCHEMBL7467318 0.81 CTSL (0.53) CTSLCTSSCTSBCTSKCTSV
SCHEMBL7609373 0.81 HSPA5 (0.49) CTSLCTSSCTSBCTSKCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ SMN1; SMN2 4738/4885MAPK1 3923/4885ALDH1A1 3701/4885

“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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