SCHEMBL5279554

SCHEMBL5279554

CC(C)CC(=O)Nc1cc(C(=O)O)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.49
HCAR3 P49019 3/20 0.49
DAO P14920 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
ADORA1 P30542 2/20 0.43
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL20938923 0.78 MAPK14 (0.42) SMN1; SMN2ADORA1PTPN1LMNAHPGD
SCHEMBL13933304 0.77 HCAR2 (0.53) HCAR2HCAR3DAOLMNAKDM4E
SCHEMBL5008206 0.75 HCAR2 (0.54) HCAR2SMN1; SMN2LMNAKDM4E
SCHEMBL4649871 0.72 HCAR3 (0.58) HCAR2HCAR3DAO
SCHEMBL5280753 0.71 KMT2A (0.51) HCAR2SMN1; SMN2HPGDKDM4ETSHR
SCHEMBL6366504 0.69 HCAR2 (0.66) HCAR2HCAR3DAO
SCHEMBL5008289 0.69 CCNA2 (0.51) HCAR2ADORA1MAPTADORA3ADORA2A
SCHEMBL27805015 0.69 ADORA1 (0.55) SMN1; SMN2ADORA1PTPN1LMNAHPGD
SCHEMBL13178829 0.67 PTPN1 (0.68) SMN1; SMN2ADORA1PTPN1LMNAHPGD
SCHEMBL220072 0.67

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
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 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-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R HCAR2 208/4885HCAR3 221/4885DAO 1453/4885

“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.