SCHEMBL5018627

SCHEMBL5018627

NCC(=O)N1C[C@@H](CN)C[C@H]1C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.43
PSMB1 P20618 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
PLG P00747 3/20 0.41
KLKB1 P03952 2/20 0.41
IDO1 P14902 1/20 0.40
STAT3 P40763 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
CFD P00746 2/20 0.39
CTNNB1 P35222 1/20 0.38
PLAU P00749 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL5019089 0.78 PSMB5 (0.48) PSMB5PSMB1IDO1STAT3UBE2M
SCHEMBL10271677 0.77 MCL1 (0.46) PSMB5PSMB1UBE2MDCUN1D1
SCHEMBL5019123 0.76 PSMB5 (0.42) PSMB5PSMB1PRSS1PRSS2PRSS3
SCHEMBL10271674 0.76 MCL1 (0.43) PSMB5PSMB1UBE2MDCUN1D1
SCHEMBL10271682 0.75 MCL1 (0.40) PSMB5PSMB1PRSS1PRSS2PRSS3
SCHEMBL10271675 0.75 MCL1 (0.43) PSMB5PSMB1
SCHEMBL5019124 0.75 PSMB5 (0.45) PSMB5PSMB1IDO1STAT3UBE2M
SCHEMBL5018619 0.71 PSMB5 (0.42) PSMB5PSMB1PRSS1PRSS2PRSS3
SCHEMBL5019067 0.69 ALDH1A1 (0.53) SMN1; SMN2
SCHEMBL5018640 0.69 PSMB5 (0.49) PSMB5PSMB1IDO1STAT3SMN1; 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
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
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
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US 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 PSMB5 865/4885PSMB1 556/4885PRSS1 660/4885

“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.