SCHEMBL3050403

SCHEMBL3050403

COC(=O)/C(=C/c1ccc(C(F)(F)F)nc1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
MIF P14174 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 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
SCHEMBL4448435 0.90 MRGPRX4 (0.42) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL4448438 0.90 MRGPRX4 (0.42) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL4448442 0.90 MRGPRX4 (0.42) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL3588983 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1MIFNR1H4
SCHEMBL3596816 0.84 MIF (0.43) MEN1KMT2AMIFNR1H4CA12
SCHEMBL3588978 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1MIFNR1H4
SCHEMBL13052595 0.84 MIF (0.43) MEN1KMT2AMIFNR1H4CA12
SCHEMBL3596818 0.84 MIF (0.43) MEN1KMT2AMIFNR1H4CA12
SCHEMBL13906649 0.82 CA12 (0.47) MEN1KMT2AALDH1A1MIFNR1H4
SCHEMBL3593262 0.81 CA12 (0.40) MEN1KMT2AALDH1A1MIFNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
EP-1809657-A1 CYCLIC NONAPEPTIDE AMIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006048156-A1 CYCLIC NONAPEPTIDE AMIDES AICURIS GMBH & CO. KG (DE) 2006-05-11 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 (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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC MEN1 1768/4885KMT2A 1856/4885ALDH1A1 4817/4885

“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.