SCHEMBL2748437

SCHEMBL2748437

CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)CN(CC(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
IDO1 P14902 1/20 0.48
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKT1 P31749 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PPARA Q07869 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL2880062 0.97 SYK (0.47) SYKIDO1CTSLCTSBCTSS
SCHEMBL14023844 0.95 SYK (0.45) SYKIDO1CTSLCTSBCTSS
SCHEMBL2685379 0.90 SYK (0.50) SYKIDO1CTSLCTSBCTSS
SCHEMBL15716592 0.90 SYK (0.55) SYKIDO1CCR6PAX8CKS1B
SCHEMBL12093506 0.89 SYK (0.49) SYKIDO1CTSLCTSBCTSS
SCHEMBL16490057 0.88 SYK (0.49) SYKIDO1CTSLCTSBCTSS
SCHEMBL7419081 0.88 SYK (0.48) SYKIDO1CTSLCTSBCTSS
SCHEMBL25346745 0.87 CCR6 (0.52) SYKIDO1CTSLCTSBCTSS
SCHEMBL25970217 0.87 SYK (0.53) SYKIDO1CCR6PAX8CKS1B
SCHEMBL8089817 0.85 SYK (0.48) SYKIDO1CCR6PAX8CKS1B

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 4 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
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO 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 SYK 4003/4885IDO1 4219/4885CTSL 1724/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 SYK 4003/4885IDO1 4219/4885CTSL 1724/4885

“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.