SCHEMBL5024389

SCHEMBL5024389

CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.49
▸ CTSK P43235 10/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ CAPN1 P07384 1/20 0.46
▸ SYK P43405 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ PPARA Q07869 2/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL1626495 0.83 CTSS (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL3544394 0.83 CTSS (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL5019146 0.83 CTSS (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL5018896 0.82 CTSS (0.55) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL15501136 0.82 MEN1 (0.53) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL25715929 0.82 CAPN1 (0.53) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL13170285 0.82 CAPN1 (0.53) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18975551 0.82 CAPN1 (0.53) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL13055405 0.81 SYK (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL2581187 0.80 PPARA (0.48) CTSSCTSKCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 — — US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 — — US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 — — 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CTSS 1281/4885CTSK 1390/4885CTSL 1724/4885

“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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