SCHEMBL7472132

SCHEMBL7472132

CC(C)C[C@H](NC(=O)C1Cc2ccccc2O1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 7/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 2/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ CASP6 P55212 1/20 0.36
▸ CASP8 Q14790 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL7465826 0.83 SMN1; SMN2 (0.58) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6923765 0.83 SMN1; SMN2 (0.47) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL7463889 0.82 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL7464550 0.80 SMN1; SMN2 (0.47) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6927425 0.80 CTSL (0.55) CTSLCTSBCTSSCTSK
SCHEMBL7468905 0.78 CTSK (0.53) CTSLCTSBCTSSCTSK
SCHEMBL7467469 0.78 CTSL (0.47) CTSLCTSBCTSSCTSKPSEN1
SCHEMBL7465988 0.78 TAS1R3 (0.50) CTSLCTSBCTSSCTSK
SCHEMBL7467318 0.78 CTSL (0.53) CTSLCTSBCTSSCTSK
SCHEMBL7464820 0.78 CTSL (0.47) CTSLCTSBCTSSCTSKSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSL 4/4885CTSB 13/4885CTSS 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.

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