SCHEMBL7248901

SCHEMBL7248901

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MMP13 P45452 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CPA1 P15085 1/20 0.39
RIPK1 Q13546 1/20 0.39
REN P00797 1/20 0.38
ADORA1 P30542 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
GRM2 Q14416 1/20 0.37
ACE P12821 1/20 0.36

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
SCHEMBL6317701 1.00 CTSS (0.46) CTSSCTSKMMP13PPARGPPARA
SCHEMBL1401163 1.00 CTSS (0.46) CTSSCTSKMMP13PPARGPPARA
SCHEMBL30884900 0.91 CTSS (0.43) CTSSCTSKPPARGPPARACPA1
SCHEMBL25173080 0.88 PPARG (0.40) MMP13PPARGPPARAITGB3ITGA2B
SCHEMBL4778626 0.88 CTSS (0.44) CTSSCTSKMMP13ITGB3ITGA2B
SCHEMBL8766144 0.88 CTSS (0.44) CTSSCTSKMMP13ITGB3ITGA2B
SCHEMBL6661008 0.88 CTSS (0.44) CTSSCTSKMMP13ITGB3ITGA2B
SCHEMBL2476924 0.87 MMP13 (0.46) CTSSCTSKMMP13ITGB3ITGA2B
SCHEMBL1401042 0.87 MMP13 (0.46) CTSSCTSKMMP13ITGB3ITGA2B
SCHEMBL65502 0.87 MMP13 (0.46) CTSSCTSKMMP13ITGB3ITGA2B

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-6559140-B2 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBOTT LABORATORIES 2003-05-06 US disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 US disclosed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 CTSS 2140/4885CTSK 1606/4885MMP13 2765/4885

“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.