SCHEMBL12890782

SCHEMBL12890782

CC(NC(=O)OC(C)(C)C)Nc1cccc(CCC(N)C(=O)OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ KLK5 Q9Y337 1/20 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
SCHEMBL12891391 0.79 LTA4H (0.42) LTA4HSYKBACE1
SCHEMBL6386141 0.78 PPARA (0.47) LTA4HSYKCTSSCTSKMAPT
SCHEMBL12890765 0.76 SYK (0.50) LTA4HSYKCTSSCTSKMAPT
SCHEMBL12890769 0.76 SYK (0.50) LTA4HSYKCTSSCTSKMAPT
SCHEMBL20885281 0.76 SYK (0.54) LTA4HSYKCTSSCTSKMAPT
SCHEMBL22579840 0.76 SYK (0.54) LTA4HSYKCTSSCTSKMAPT
SCHEMBL20854198 0.76 SYK (0.54) LTA4HSYKCTSSCTSKMAPT
SCHEMBL20885274 0.76 SYK (0.54) LTA4HSYKCTSSCTSKMAPT
SCHEMBL1463134 0.75 POLB (0.58) SYKCTSSCTSKMAPTPPARA
SCHEMBL648574 0.75 POLB (0.58) SYKCTSSCTSKMAPTPPARA

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 LTA4H 1946/4885SYK 3373/4885CTSS 1133/4885

“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.

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