SCHEMBL5018534

SCHEMBL5018534

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
LTA4H P09960 5/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
ACHE P22303 1/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTNNB1 P35222 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL5018471 0.94 LTA4H (0.41) FPR2LTA4HS1PR1
SCHEMBL5018354 0.91 CASR (0.44) MAPTHTTCTNNB1
SCHEMBL5018387 0.90 LTA4H (0.45) LTA4HMAPTSMN1; SMN2LMNAS1PR1
SCHEMBL5018479 0.89 ROCK2 (0.38) FPR2LTA4HS1PR1
SCHEMBL5018262 0.89 KLKB1 (0.50) MAPTSMN1; SMN2PLA2G1BATG4B
SCHEMBL5018684 0.89 KLKB1 (0.50) MAPTSMN1; SMN2PLA2G1BATG4B
SCHEMBL5018621 0.89 LTA4H (0.42) LTA4HSMN1; SMN2LMNAHTTS1PR1
SCHEMBL5018450 0.88 S1PR1 (0.43) FPR2LTA4HMAPTS1PR1
SCHEMBL5018174 0.88 METAP2 (0.49) LTA4HMAPTSMN1; SMN2LMNAS1PR1
SCHEMBL5018420 0.87 S1PR2 (0.37) MAPTLMNAHTTCTNNB1S1PR1

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 FPR2 3553/4885LTA4H 3098/4885MAPT 4007/4885

“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.