SCHEMBL5018308

SCHEMBL5018308

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.41
MMP3 P08254 5/20 0.40
MMP2 P08253 3/20 0.40
MMP10 P09238 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
CASR P41180 1/20 0.38
PLG P00747 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 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
SCHEMBL5018360 0.92 PLG (0.45) CALCRLMMP3MMP2MMP12MMP13
SCHEMBL5018189 0.86 PSMB5 (0.46) LMNARAB9ACASRALDH1A1MEN1
SCHEMBL5018413 0.86 MMP3 (0.41) CALCRLMMP3MMP2MMP10MMP9
SCHEMBL5025846 0.85 FURIN (0.40) CALCRLMMP3MMP2MMP10MMP9
SCHEMBL5018582 0.85 FURIN (0.40) CALCRLMMP3MMP2MMP10MMP9
SCHEMBL5018356 0.85 HDAC4 (0.47) CALCRLMMP3MMP2MMP10MMP9
SCHEMBL5018324 0.84 LNPEP (0.39) MMP2MMP12MMP13ALDH1A1ERAP2
SCHEMBL5018305 0.84 FPR2 (0.44) CALCRLMMP2RAB9AALDH1A1TSHR
SCHEMBL5018143 0.84 MMP2 (0.44) CALCRLMMP3MMP2MMP9MMP8
SCHEMBL5018354 0.84 CASR (0.44) CALCRLMMP3MMP2MMP10MMP9

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 CALCRL 4740/4885MMP3 1583/4885MMP2 816/4885

“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.