SCHEMBL18179933

SCHEMBL18179933

O=C(O)Cn1c(=O)n(CC(=O)O)c2c(Cl)cccc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.64
GLA P06280 1/20 0.46
KDM4E B2RXH2 3/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.43
AKR1B1 P15121 3/20 0.43
CXCR3 P49682 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL18171837 0.79 ALDH1A1 (0.49) APEX1KDM4ECXCR3KMT2AMEN1
SCHEMBL11808900 0.79 APEX1 (1.00) APEX1GLAKDM4EKMT2AMEN1
SCHEMBL21027244 0.76 GLA (0.69) APEX1GLAKDM4EPTGDR2AKR1B1
SCHEMBL260929 0.76 APEX1 (0.57) APEX1GLAKDM4EKMT2AMEN1
SCHEMBL260928 0.76 APEX1 (0.57) APEX1GLAKDM4EKMT2AMEN1
SCHEMBL10487988 0.75 MAPT (0.63) APEX1GLAKDM4EAKR1B1KMT2A
SCHEMBL261120 0.74 APEX1 (0.46) APEX1GLAAKR1B1KMT2AMEN1
SCHEMBL261121 0.74 APEX1 (0.46) APEX1GLAAKR1B1KMT2AMEN1
SCHEMBL2762171 0.73 APEX1 (0.79) APEX1GLAKDM4EKMT2AMEN1
SCHEMBL21026999 0.73 GLA (0.69) APEX1GLAKDM4EPTGDR2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E APEX1 2914/4885GLA 2247/4885KDM4E 2426/4885

“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.