SCHEMBL21744540

SCHEMBL21744540

COC(=O)C1Cc2cccnc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HDAC8 Q9BY41 5/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 2/20 0.38

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
SCHEMBL21744471 0.91 PTPN1 (0.53) PTPN1NR1H2NR1H3HDAC8POLB
SCHEMBL4598233 0.88 ACE (0.41) PTPN1HDAC8POLBKDM4EGPR119
SCHEMBL14097936 0.87 PTPN1 (0.53) PTPN1HDAC8POLBKDM4E
SCHEMBL21490343 0.83 PTPN1 (0.65) PTPN1NR1H2NR1H3HDAC8NAMPT
SCHEMBL29443079 0.83 PTPN1 (0.65) PTPN1NR1H2NR1H3HDAC8NAMPT
SCHEMBL2737917 0.83 PTPN1 (0.65) PTPN1NR1H2NR1H3HDAC8NAMPT
SCHEMBL8189194 0.79 NAMPT (0.40) PTPN1NR1H2NR1H3MAPK1NAMPT
SCHEMBL4597855 0.79 HDAC8 (0.43) PTPN1HDAC8POLBKDM4EGPR119
SCHEMBL17094830 0.79 PTPN1 (0.42) PTPN1NR1H2NR1H3POLBKDM4E
SCHEMBL14097934 0.78 PTPN1 (0.53) PTPN1HDAC8POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 US 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 PTPN1 769/4885NR1H2 459/4885NR1H3 435/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 PTPN1 769/4885NR1H2 459/4885NR1H3 435/4885

“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.