SCHEMBL1768668

SCHEMBL1768668

N[C@@H](CCNC(=O)c1cccc(OC(F)F)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
KMT2A Q03164 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
POLB P06746 2/20 0.48
PRMT5 O14744 1/20 0.47
ATM Q13315 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
F10 P00742 1/20 0.44
SLC7A5 Q01650 1/20 0.44

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
SCHEMBL2240723 1.00 HDAC3 (0.53) HDAC3KMT2ANPSR1MEN1MAPT
SCHEMBL1769369 0.94 CYP2C9 (0.53) HDAC3KMT2ANPSR1MEN1MAPT
SCHEMBL2235001 0.93 HDAC3 (0.56) HDAC3KMT2ANPSR1MEN1MAPT
SCHEMBL2234994 0.93 HDAC3 (0.56) HDAC3KMT2ANPSR1MEN1MAPT
SCHEMBL1769455 0.87 POLB (0.56) HDAC3KMT2ANPSR1MEN1MAPT
SCHEMBL1769453 0.87 POLB (0.56) HDAC3KMT2ANPSR1MEN1MAPT
SCHEMBL1768594 0.86 CYP2C9 (0.59) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL2235821 0.86 CYP2C9 (0.59) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL2237718 0.79 EPHX2 (0.65) HDAC3KMT2ARAB9ALMNAPOLB
SCHEMBL2237728 0.79 EPHX2 (0.65) HDAC3KMT2ARAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 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 (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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 HDAC3 3755/4885KMT2A 3431/4885NPSR1 813/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HDAC3 3328/4885KMT2A 4208/4885NPSR1 227/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HDAC3 3213/4885KMT2A 4121/4885NPSR1 216/4885

“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.