SCHEMBL5018315

SCHEMBL5018315

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.49
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
S1PR1 P21453 3/20 0.41
LTA4H P09960 8/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
PSMB5 P28074 2/20 0.39
SLC1A5 Q15758 1/20 0.37
NPY5R Q15761 1/20 0.37
CALCRL Q16602 1/20 0.36

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
SCHEMBL5018552 0.92 S1PR1 (0.42) XIAPS1PR1LTA4HSLC1A3SLC1A2
SCHEMBL5019100 0.91 S1PR1 (0.44) S1PR1LTA4HSLC1A5NPY5R
SCHEMBL5018318 0.87 S1PR1 (0.46) LPAR1LPAR5S1PR1LTA4HNPY5R
SCHEMBL5018174 0.85 METAP2 (0.49) S1PR1LTA4H
SCHEMBL5018621 0.84 LTA4H (0.42) S1PR1LTA4HCALCRL
SCHEMBL5018237 0.84 LTA4H (0.42) S1PR1LTA4H
SCHEMBL5018305 0.84 FPR2 (0.44) PSMB5CALCRL
SCHEMBL5018534 0.84 FPR2 (0.46) S1PR1LTA4H
SCHEMBL5018409 0.84 S1PR1 (0.51) S1PR1LTA4HNPY5R
SCHEMBL5019102 0.83 RAB9A (0.46) CALCRL

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 XIAP 1156/4885LPAR1 3683/4885LPAR5 3869/4885

“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.