SCHEMBL30825620

SCHEMBL30825620

COC(=O)[C@H](Cc1cc(C(F)(F)F)ccc1O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TACR1 P25103 2/20 0.43
CTSS P25774 4/20 0.41
CTSK P43235 4/20 0.41
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
SCN9A Q15858 4/20 0.41
LCK P06239 1/20 0.39
ACE P12821 1/20 0.39
CTSL P07711 1/20 0.38

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
SCHEMBL30825597 0.91 KLK5 (0.45) KLK5PPARGPPARATACR1CTSS
SCHEMBL27207121 0.90 PPARA (0.53) PPARGPPARACTSSCTSKSCN9A
SCHEMBL27203733 0.90 PPARA (0.53) PPARGPPARACTSSCTSKSCN9A
SCHEMBL4390581 0.86 CTSS (0.48) KLK5PPARGPPARATACR1CTSS
SCHEMBL3856557 0.86 CTSS (0.48) KLK5PPARGPPARATACR1CTSS
SCHEMBL4390584 0.86 CTSS (0.48) KLK5PPARGPPARATACR1CTSS
SCHEMBL30825582 0.86 TACR1 (0.49) KLK5TACR1CTSSCTSKSCN9A
SCHEMBL27213605 0.85 TACR1 (0.49) KLK5PPARGPPARATACR1CTSS
SCHEMBL30825606 0.84 KLK5 (0.47) KLK5PPARGPPARATACR1CTSS
SCHEMBL30825573 0.83 CTSS (0.43) KLK5PPARGPPARATACR1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132524-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC 2024-04-25 US disclosed
WO-2024064210-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC (US) 2024-03-28 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-20240132524-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY NME2, BTD, BLVRB KLK5 2119/4885PPARG 2965/4885PPARA 4183/4885

“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.