SCHEMBL16894451

SCHEMBL16894451

O=Cc1ccc(OCC(F)F)s1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 1/20 0.32
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL30747215 0.76 ALDH1A1 (0.36) ALDH1A1DPP4CYP2E1CYP3A4CYP2A6
SCHEMBL16901839 0.76 ALDH1A1 (0.46) ALDH1A1DPP4CYP2E1CYP3A4CYP2A6
SCHEMBL30762009 0.76 DRD1 (0.39) ALDH1A1DPP4CYP2E1CYP3A4CYP2A6
SCHEMBL16894463 0.75 ALDH1A1 (0.39) ALDH1A1DPP4CYP2E1CYP3A4CYP2A6
SCHEMBL20391127 0.74 ALDH1A1 (0.34) ALDH1A1DPP4
SCHEMBL16901840 0.73 ALDH1A1 (0.43) ALDH1A1DPP4
SCHEMBL16894359 0.72 ALDH1A1 (0.37) ALDH1A1DPP4
SCHEMBL28207921 0.72 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL18626712 0.72 PRMT6 (0.31)
SCHEMBL11764446 0.71 ALDH1A1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861570-B1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES UNIV RUTGERS (US) 2018-07-18 EP disclosed
EP-2861570-B1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES UNIV RUTGERS (US) 2018-07-18 EP disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
EP-2861570-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES Rutgers, The State University of New Jersey (US) 2015-04-22 EP disclosed
WO-2013192352-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-12-27 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 (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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL ALDH1A1 1785/4885DPP4 2343/4885CYP2E1 1300/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C ALDH1A1 1561/4885DPP4 3048/4885CYP2E1 1484/4885

“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.