SCHEMBL5018310

SCHEMBL5018310

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(OCC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.44
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
METAP2 P50579 1/20 0.39
PLG P00747 1/20 0.39
ACACB O00763 1/20 0.39
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL5018174 0.89 METAP2 (0.49) LTA4HMETAP2
SCHEMBL5018389 0.86 S1PR1 (0.51) LTA4HMETAP2
SCHEMBL5018496 0.86 LTA4H (0.46) LTA4HMETAP2
SCHEMBL5018387 0.86 LTA4H (0.45) LTA4HMETAP2
SCHEMBL5018391 0.85 S1PR1 (0.54) LTA4HMETAP2
SCHEMBL5018237 0.84 LTA4H (0.42) LTA4HMETAP2
SCHEMBL5018621 0.84 LTA4H (0.42) LTA4HMETAP2
SCHEMBL5018190 0.84 CTSC (0.41) LTA4HCTSSCTSKPRSS1
SCHEMBL5018534 0.84 FPR2 (0.46) LTA4HCTSSCTSK
SCHEMBL5019100 0.84 S1PR1 (0.44) LTA4HFNTAFNTB

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 LTA4H 3098/4885FNTA 193/4885FNTB 39/4885

“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.