SCHEMBL2240076

SCHEMBL2240076

NC(CNC(=O)c1cnccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAPRT Q6XQN6 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
PSMB11 A5LHX3 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 1/20 0.47
PSMA3 P25788 1/20 0.47
PSMA4 P25789 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMA5 P28066 1/20 0.47

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
SCHEMBL15209459 1.00 HPGD (0.53) HPGDLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL2236078 0.85 HPGD (0.65) HPGDLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL2236090 0.85 HPGD (0.65) HPGDLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL2237253 0.83 KDM4E (0.59) HPGDLMNASMN1; SMN2KDM4EKMT2A
SCHEMBL2237243 0.83 KDM4E (0.59) HPGDLMNASMN1; SMN2KDM4EKMT2A
SCHEMBL13593756 0.81 KDM4E (0.59) HPGDLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL1769054 0.79 KMT2A (0.57) SMN1; SMN2KMT2AMEN1GRIN3BGRIN1
SCHEMBL1769057 0.79 KMT2A (0.57) SMN1; SMN2KMT2AMEN1GRIN3BGRIN1
SCHEMBL13585060 0.78 P2RX7 (0.59) GRIN3BGRIN1GRIN2C
SCHEMBL2238845 0.78 P2RX7 (0.59) GRIN3BGRIN1GRIN2C

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 8 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
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN 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-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
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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 (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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HPGD 2054/4885LMNA 4153/4885SMN1; SMN2 2326/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HPGD 2044/4885LMNA 4127/4885SMN1; SMN2 2517/4885

“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.