SCHEMBL5018475

SCHEMBL5018475

N[C@@H]1CCN(C(=O)C[C@H](N)C(=O)N[C@@H](CCc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 12/20 0.44
UBE2M P61081 11/20 0.44
PSMB5 P28074 3/20 0.42
EPHX2 P34913 2/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
PSMB1 P20618 1/20 0.41
CCKBR P32239 1/20 0.40

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
SCHEMBL10271436 1.00 DCUN1D1 (0.44) DCUN1D1UBE2MPSMB5EPHX2LMNA
SCHEMBL5018451 1.00 DCUN1D1 (0.44) DCUN1D1UBE2MPSMB5EPHX2LMNA
Hydrochloric Acid SCHEMBL2747410 0.99 DCUN1D1 (0.43) DCUN1D1UBE2MPSMB5EPHX2LMNA
Hydrochloric Acid SCHEMBL2747971 0.99 DCUN1D1 (0.43) DCUN1D1UBE2MPSMB5EPHX2LMNA
SCHEMBL5018626 0.96 DCUN1D1 (0.46) DCUN1D1UBE2MPSMB5EPHX2LMNA
SCHEMBL5024445 0.96 DCUN1D1 (0.46) DCUN1D1UBE2MPSMB5EPHX2LMNA
SCHEMBL5019162 0.96 DCUN1D1 (0.46) DCUN1D1UBE2MPSMB5EPHX2LMNA
Hydrochloric Acid SCHEMBL2749604 0.95 DCUN1D1 (0.46) DCUN1D1UBE2MPSMB5EPHX2LMNA
SCHEMBL5018704 0.90 PSMB5 (0.44) DCUN1D1UBE2MPSMB5LMNAALDH1A1
SCHEMBL5026016 0.90 PSMB5 (0.44) DCUN1D1UBE2MPSMB5LMNAALDH1A1

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 5 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
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 DCUN1D1 3227/4885UBE2M 1812/4885PSMB5 865/4885

“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.