SCHEMBL324860

SCHEMBL324860

NC(CC(=O)c1ccccc1)(NF)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CES1 P23141 2/20 0.48
ALOX15 P16050 1/20 0.48
PTPN1 P18031 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
HIF1A Q16665 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GSK3B P49841 2/20 0.41
TRPA1 O75762 1/20 0.41
RAB9A P51151 2/20 0.41
PLOD2 O00469 2/20 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
SCHEMBL3742612 0.80 TDP1 (0.52) MAPK1MEN1CYP3A4HPGDKMT2A
Methylamine SCHEMBL13837152 0.77 MAPT (0.48) MAPK1MEN1CYP3A4HPGDKMT2A
SCHEMBL7440716 0.74 TDP1 (0.50) MAPK1MEN1CYP3A4HPGDKMT2A
SCHEMBL19619388 0.72 MAPT (0.52) MAPK1MEN1CYP3A4HPGDKMT2A
SCHEMBL3754394 0.72 MAPT (0.52) MAPK1MEN1CYP3A4HPGDKMT2A
SCHEMBL28352832 0.72 CES1 (0.52) MAPK1MEN1CYP3A4HPGDKMT2A
SCHEMBL70367 0.71 CES1 (0.56) MAPK1MEN1CYP3A4HPGDKMT2A
Hydrochloric Acid SCHEMBL10431496 0.71 MAPT (0.50) MAPK1MEN1CYP3A4HPGDKMT2A
SCHEMBL10393811 0.70 KMT2A (0.45) MAPK1MEN1CYP3A4HPGDKMT2A
SCHEMBL379725 0.70 KMT2A (0.54) MAPK1MEN1CYP3A4HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573959-B Modified cyclic pentapeptides and uses thereof 慕尼黑工业大学 2022-03-25 CN disclosed
US-10919938-B2 Modified cyclopentapeptides and uses thereof Technische Universität München (DE) 2021-02-16 US disclosed
EP-3152226-B1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF UNIV MUENCHEN TECH (DE) 2019-05-29 EP disclosed
US-20180037608-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2018-02-08 US disclosed
EP-3152226-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2017-04-12 EP disclosed
EP-2560690-B1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2017-03-08 EP disclosed
US-9266924-B2 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2016-02-23 US disclosed
WO-2015185162-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2015-12-10 WO disclosed
US-20130217871-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-08-22 US disclosed
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-05-23 US disclosed
EP-2590678-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION Fresenius Kabi Deutschland GmbH (DE) 2013-05-15 EP disclosed
EP-2560690-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-02-27 EP disclosed
WO-2012004009-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2012-01-12 WO disclosed
WO-2011131731-A1 CYCLOPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2011-10-27 WO disclosed
WO-2011131735-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2011-10-27 WO disclosed
EP-2380596-A1 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP disclosed
EP-2380597-A1 Cyclopeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP 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 (3 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-20180037608-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF ANXA4, CPA4, PTMS MAPK1 1459/4885MEN1 3261/4885CYP3A4 909/4885
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF ANXA4, XPNPEP1, ANXA1 MAPK1 1774/4885MEN1 1927/4885CYP3A4 427/4885
US-10919938-B2 Modified cyclopentapeptides and uses thereof ANXA4, CPA4, PTMS MAPK1 1459/4885MEN1 3261/4885CYP3A4 909/4885

“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.