SCHEMBL5018326

SCHEMBL5018326

CC(C)(C)Oc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KLKB1 P03952 9/20 0.43
PSMB5 P28074 7/20 0.42
PSMB1 P20618 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB9 P28065 1/20 0.42
PSMB10 P40306 1/20 0.42
PSMB2 P49721 1/20 0.42
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
MMP1 P03956 2/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
FCER2 P06734 1/20 0.40
KLK1 P06870 2/20 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
SCHEMBL5018684 0.91 KLKB1 (0.50) KLKB1PSMB5PSMB1PSMB8PSMB9
SCHEMBL5018262 0.91 KLKB1 (0.50) KLKB1PSMB5PSMB1PSMB8PSMB9
SCHEMBL5018480 0.90 KLKB1 (0.54) KLKB1KLK1
SCHEMBL5018322 0.89 ALPL (0.44) KLKB1PSMB5PSMB1PSMB8PSMB9
SCHEMBL5018306 0.87 NPY1R (0.47) KLKB1PSMB5NFKB1NFKB2RELA
SCHEMBL5018210 0.87 KLKB1 (0.49) KLKB1PSMB5PSMB1PSMB8PSMB9
SCHEMBL5018604 0.87 KLKB1 (0.41) KLKB1PSMB5PSMB1PSMB8PSMB9
SCHEMBL5018439 0.86 KLKB1 (0.46) KLKB1PSMB5PSMB1PSMB8PSMB9
SCHEMBL5018191 0.86 ALDH1A1 (0.47) PSMB5NFKB1NFKB2RELAMMP1
SCHEMBL5018192 0.86 F7 (0.45) KLKB1PSMB5NFKB1NFKB2RELA

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 CTSS 1281/4885CTSK 1390/4885KLKB1 2848/4885

“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.