SCHEMBL17008015

SCHEMBL17008015

C=CCCOc1ccccc1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
PPARG P37231 1/20 0.52
CXCL8 P10145 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CFD P00746 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
F11 P03951 1/20 0.45
KLKB1 P03952 1/20 0.45
F7 P08709 1/20 0.45
TPSB2 P20231 1/20 0.45
AKR1B1 P15121 1/20 0.44
CHRM1 P11229 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTB4R Q15722 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL31414031 0.84 LIG1 (0.53) KDM4ECXCL8L3MBTL1CFDPLG
SCHEMBL292808 0.84 LIG1 (0.53) KDM4ECXCL8L3MBTL1CFDPLG
SCHEMBL17008005 0.83 KDM4E (0.50) KDM4EPPARGL3MBTL1KMT2A
SCHEMBL17008007 0.82 KDM4E (0.56) KDM4EPPARGL3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL17008123 0.81 KDM4E (0.55) KDM4EPPARGL3MBTL1ALDH1A1KMT2A
SCHEMBL530423 0.81 KDM4E (0.57) KDM4EPPARGL3MBTL1ALDH1A1KMT2A
SCHEMBL10600012 0.80 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1
SCHEMBL16150030 0.80 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL11533135 0.79 HPGD (0.58) KDM4ECXCL8L3MBTL1CFDPLG
SCHEMBL8084869 0.79 L3MBTL1 (0.57) PPARGCXCL8L3MBTL1CFDPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114129-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-01-11 EP disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
WO-2015126751-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126751-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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 (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-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, MAVS, TYMP KDM4E 1541/4885PPARG 4734/4885CXCL8 2267/4885

“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.