SCHEMBL10271677

SCHEMBL10271677

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC1C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.46
PSMB5 P28074 2/20 0.44
LMNA P02545 1/20 0.43
PSMB1 P20618 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 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
SCHEMBL10271682 0.89 MCL1 (0.40) MCL1PSMB5LMNAPSMB1
SCHEMBL10271674 0.88 MCL1 (0.43) MCL1PSMB5LMNAPSMB1UBE2M
SCHEMBL10271675 0.87 MCL1 (0.43) MCL1PSMB5LMNAPSMB1BCL2
SCHEMBL5019089 0.86 PSMB5 (0.48) PSMB5LMNAPSMB1UBE2MDCUN1D1
SCHEMBL5019124 0.79 PSMB5 (0.45) PSMB5LMNAPSMB1UBE2MDCUN1D1
SCHEMBL5018627 0.77 PSMB5 (0.43) PSMB5PSMB1UBE2MDCUN1D1
SCHEMBL5019123 0.75 PSMB5 (0.42) PSMB5LMNAPSMB1UBE2MDCUN1D1
SCHEMBL5025229 0.74 PSMB5 (0.52) PSMB5PSMB1
SCHEMBL5018897 0.72 HDAC1 (0.51) MCL1
SCHEMBL13365593 0.72 HDAC1 (0.51) MCL1

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 MCL1 1271/4885PSMB5 865/4885LMNA 3488/4885

“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.