SCHEMBL10271682

SCHEMBL10271682

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.40
PSMB5 P28074 2/20 0.39
PSMB1 P20618 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
LMNA P02545 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37

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
SCHEMBL10271677 0.89 MCL1 (0.46) MCL1PSMB5PSMB1LMNA
SCHEMBL5019123 0.88 PSMB5 (0.42) PSMB5PSMB1PLGPRSS1PRSS2
SCHEMBL10271674 0.83 MCL1 (0.43) MCL1PSMB5PSMB1LMNA
SCHEMBL10271675 0.83 MCL1 (0.43) MCL1PSMB5PSMB1LMNA
SCHEMBL5018619 0.80 PSMB5 (0.42) PSMB5PSMB1PLGPRSS1PRSS2
SCHEMBL5019089 0.76 PSMB5 (0.48) PSMB5PSMB1LMNA
SCHEMBL5018627 0.75 PSMB5 (0.43) PSMB5PSMB1PLGPRSS1PRSS2
SCHEMBL5019124 0.74 PSMB5 (0.45) PSMB5PSMB1LMNA
SCHEMBL5025306 0.73 PSMB5 (0.45) PSMB5PSMB1
SCHEMBL5018524 0.70 PSMB5 (0.49) PSMB5PSMB1

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 865/4885PSMB1 556/4885

“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.