SCHEMBL5018535

SCHEMBL5018535

CC(C)(C)c1cc(NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)ccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.39
MMP2 P08253 7/20 0.39
MMP1 P03956 2/20 0.38
MMP9 P14780 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKCI P41743 1/20 0.37
CALCRL Q16602 1/20 0.36
AR P10275 1/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
NFKB1 P19838 1/20 0.35
PSMB5 P28074 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL5018422 0.87 CHRNB2 (0.37) MMP3MMP2MMP1CALCRL
SCHEMBL5018413 0.85 MMP3 (0.41) MMP3MMP2MMP1MMP9CALCRL
SCHEMBL5018393 0.84 MMP3 (0.41) MMP3MMP2MMP1MMP9CALCRL
SCHEMBL5018149 0.83 PLAU (0.48) MMP3MMP2MMP1CALCRLPLAU
SCHEMBL5018378 0.83 CALCRL (0.39) MMP3MMP2MMP1MMP9CALCRL
SCHEMBL5018143 0.82 MMP2 (0.44) MMP3MMP2MMP1MMP9CALCRL
SCHEMBL5018350 0.82 ALDH1A1 (0.42) MMP3MMP1MMP9MMP8
Hydrochloric Acid SCHEMBL2748013 0.82 MMP2 (0.44) MMP3MMP2MMP1MMP9CALCRL
SCHEMBL5018356 0.81 HDAC4 (0.47) MMP3MMP2MMP9LMNAHTT
SCHEMBL5018304 0.81 SYK (0.40)

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 MMP3 1583/4885MMP2 816/4885MMP1 2164/4885

“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.