SCHEMBL5018191

SCHEMBL5018191

CC(C)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PSMB5 P28074 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
NPY1R P25929 4/20 0.43
MMP1 P03956 1/20 0.43
FCER2 P06734 1/20 0.43
NPY5R Q15761 2/20 0.42
NPY2R P49146 1/20 0.42
MASP2 O00187 2/20 0.42
F2 P00734 1/20 0.42
BACE1 P56817 1/20 0.41
NPY4R P50391 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5018306 0.91 NPY1R (0.47) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL5018192 0.89 F7 (0.45) PSMB5NFKB1NFKB2RELAMMP1
SCHEMBL5018322 0.88 ALPL (0.44) PSMB5NFKB1NFKB2RELAMMP1
SCHEMBL5019102 0.88 RAB9A (0.46) MMP1SMN1; SMN2
SCHEMBL13365449 0.88 MMP1 (0.43) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL5023834 0.88 MMP1 (0.43) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL5018480 0.87 KLKB1 (0.54)
SCHEMBL5018329 0.87 MMP1 (0.45) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL5018313 0.86 TRPV1 (0.47) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL5018212 0.86 MMP1 (0.42) PSMB5NFKB1NFKB2RELANPY1R

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 8 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
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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 (2 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 ALDH1A1 4062/4885L3MBTL1 1868/4885PSMB5 865/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ALDH1A1 4062/4885L3MBTL1 1868/4885PSMB5 865/4885

“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.