SCHEMBL12890830

SCHEMBL12890830

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.61
CTSK P43235 8/20 0.61
BIRC2 Q13490 1/20 0.59
KLK5 Q9Y337 1/20 0.59
CTSS P25774 6/20 0.56
CTSL P07711 2/20 0.56
CTSB P07858 1/20 0.56
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTPN1 P18031 2/20 0.52
POLB P06746 1/20 0.52
ACE P12821 1/20 0.52

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
SCHEMBL29498132 1.00 REN (0.61) RENCTSKBIRC2KLK5CTSS
SCHEMBL24345963 0.96 BIRC2 (0.62) RENCTSKBIRC2KLK5CTSS
SCHEMBL22962429 0.96 REN (0.61) RENCTSKBIRC2KLK5CTSS
SCHEMBL22962240 0.93 BIRC2 (0.60) RENCTSKBIRC2KLK5CTSS
SCHEMBL29651542 0.91 REN (0.57) RENCTSKBIRC2KLK5CTSS
SCHEMBL12890828 0.90 KLK5 (0.58) RENCTSKBIRC2KLK5CTSS
SCHEMBL8145513 0.90 CTSK (0.56) RENCTSKBIRC2KLK5CTSS
SCHEMBL20030598 0.90 CTSS (0.68) RENCTSKKLK5CTSSCTSL
SCHEMBL30135036 0.90 CTSS (0.68) RENCTSKKLK5CTSSCTSL
SCHEMBL17138017 0.90 CTSS (0.68) RENCTSKKLK5CTSSCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 REN 848/4885CTSK 1235/4885BIRC2 1603/4885

“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.