SCHEMBL5018387

SCHEMBL5018387

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.45
METAP2 P50579 1/20 0.40
HDAC4 P56524 1/20 0.38
EP300 Q09472 1/20 0.38
MEF2D Q14814 1/20 0.38
S1PR1 P21453 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL5018534 0.90 FPR2 (0.46) LTA4HS1PR1LMNAMAPTSMN1; SMN2
SCHEMBL5018174 0.90 METAP2 (0.49) LTA4HMETAP2S1PR1LMNAMAPT
SCHEMBL5018471 0.89 LTA4H (0.41) LTA4HMETAP2S1PR1
SCHEMBL5018389 0.87 S1PR1 (0.51) LTA4HMETAP2S1PR1LMNAMAPT
SCHEMBL5018496 0.87 LTA4H (0.46) LTA4HMETAP2S1PR1LMNAMAPT
SCHEMBL5018621 0.87 LTA4H (0.42) LTA4HMETAP2S1PR1LMNASMN1; SMN2
SCHEMBL5018391 0.86 S1PR1 (0.54) LTA4HMETAP2S1PR1
SCHEMBL5018310 0.86 LTA4H (0.44) LTA4HMETAP2
SCHEMBL5018237 0.85 LTA4H (0.42) LTA4HMETAP2S1PR1LMNAMAPT
SCHEMBL5019100 0.84 S1PR1 (0.44) LTA4HS1PR1

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 3098/4885METAP2 1824/4885HDAC4 653/4885

“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.