SCHEMBL839568

SCHEMBL839568

O=C(OCl)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.62
KLK5 Q9Y337 1/20 0.62
PREP P48147 3/20 0.61
CTRB1 P17538 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
FKBP1A P62942 2/20 0.56
GFER P55789 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL14453057 0.96 FKBP1A (0.61) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL16272917 0.91 FKBP1A (0.66) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL7326760 0.91 FKBP1A (0.66) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL5525089 0.87 PREP (0.67) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL4724457 0.87 PREP (0.67) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL8747162 0.87 KLK7 (0.62) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL630112 0.87 PREP (0.67) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL8747160 0.87 KLK7 (0.62) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL20519 0.87 PREP (0.64) KLK7KLK5PREPCTRB1NPSR1
SCHEMBL205438 0.87 PREP (0.64) KLK7KLK5PREPCTRB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143249-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-30 US disclosed
EP-2301937-A1 Prodrugs of A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2011-03-30 EP disclosed
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-03-04 US disclosed
US-7625881-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2009-12-01 US disclosed
US-20060293283-A1 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2006-12-28 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 (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-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KLK7 4172/4885KLK5 4480/4885PREP 734/4885
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 KLK7 4488/4885KLK5 4442/4885PREP 191/4885
US-20060293283-A1 Prodrugs of A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KLK7 4172/4885KLK5 4480/4885PREP 734/4885

“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.