SCHEMBL5018375

SCHEMBL5018375

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1c(Cl)cncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.40
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
CTSC P53634 1/20 0.35
PSMB5 P28074 2/20 0.35
MMP8 P22894 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CALCRL Q16602 1/20 0.34

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
SCHEMBL5018175 0.84 LNPEP (0.40) CTSCMMP8CHRNB2CHRNB4CHRNA3
SCHEMBL5018183 0.84 LNPEP (0.39) CTSCMMP8CHRNB2CHRNB4CHRNA3
SCHEMBL5018402 0.83 CTSC (0.35) CTSCMMP8MMP1MMP2MMP12
SCHEMBL5018181 0.83 CALCRL (0.39) CTSCMMP8MMP1MMP2MMP12
SCHEMBL5018305 0.83 FPR2 (0.44) PSMB5MMP2CALCRL
SCHEMBL5018206 0.82 MMP8 (0.41) CTSCMMP8MMP1MMP2MMP12
SCHEMBL5018186 0.82 CALCRL (0.45) MMP1MMP2MMP12MMP13CALCRL
SCHEMBL5018260 0.81 CALCRL (0.38) CTSCPSMB5MMP8MMP1MMP2
SCHEMBL5018325 0.81 PSMB5 (0.42) PSMB5MMP1CHRNB2CHRNB4CHRNA3
SCHEMBL5018911 0.81 MMP1 (0.51) CTSCMMP1MMP2MMP12MMP13

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 P2RX7 1911/4885PDE4A 1925/4885PDE4B 1722/4885

“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.