SCHEMBL5018714

SCHEMBL5018714

CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)CN(CC(=O)c1ccccc1)CC(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
IDO1 P14902 1/20 0.42
AKT1 P31749 2/20 0.42
BCHE P06276 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
KDM4A O75164 1/20 0.39
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL17532685 0.81 CKS1B (0.53) CKS1BSKP1SKP2CTSSCTSL
SCHEMBL18251803 0.81 CKS1B (0.42) CKS1BSKP1SKP2CTSSIDO1
SCHEMBL9540577 0.79 CKS1B (0.49) CKS1BSKP1SKP2CTSSCTSL
SCHEMBL22013304 0.78 TDP1 (0.47) CKS1BSKP1SKP2MEN1GAA
SCHEMBL9743741 0.78 CKS1B (0.50) CKS1BSKP1SKP2CTSSCTSL
SCHEMBL2748437 0.77 SYK (0.49) CKS1BSKP1SKP2CTSSCTSL
SCHEMBL942893 0.76 IDO1 (0.51) CKS1BSKP1SKP2IDO1BCHE
SCHEMBL8399579 0.76 AKT1 (0.56) CKS1BSKP1SKP2CTSSCTSL
SCHEMBL24455201 0.76 CKS1B (0.48) CKS1BSKP1SKP2CTSSCTSL
SCHEMBL20788025 0.75 TDP1 (0.46) CKS1BSKP1SKP2CTSSCTSL

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 3 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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 (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 CKS1B 4233/4885SKP1 3777/4885SKP2 4569/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CKS1B 4233/4885SKP1 3777/4885SKP2 4569/4885

“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.