SCHEMBL30408166

SCHEMBL30408166

CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SCN9A Q15858 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 2/20 0.43
CTSL P07711 1/20 0.43
HPGD P15428 1/20 0.43
ACE P12821 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK5 Q9Y337 1/20 0.42
TP53 P04637 1/20 0.42
PTPN1 P18031 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 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
SCHEMBL30408109 0.83 HDAC8 (0.52) CTSSCTSKMAPTKMT2ACTSL
SCHEMBL4927381 0.78 KLK5 (0.49) CTSSCTSKCTSLACEKLK5
SCHEMBL661640 0.77 RAB9A (0.56) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11562606 0.77 CA12 (0.47) CTSSCTSKMAPTSCN9ACTSL
SCHEMBL25590241 0.76 CTSL (0.52) CTSSCTSKALDH1A1MAPTCTSL
SCHEMBL25590242 0.75 CTSL (0.51) CTSSCTSKALDH1A1MAPTPOLB
SCHEMBL2617135 0.75 PPARA (0.50) CTSSCTSKCTSLACEKLK5
SCHEMBL30485006 0.74 CTSK (0.41) CTSSCTSKMAPTSCN9ATP53
SCHEMBL28524201 0.74 CTSS (0.47) CTSSCTSKALDH1A1MAPTSCN9A
SCHEMBL1688823 0.73 CYP1A2 (0.43) CTSSCTSKCTSLACEKLK5

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-20250034112-A1 IMPROVED SELECTIVE JAK2 INHIBITORS AND METHODS OF USE UNIV YALE (US) 2025-01-30 US disclosed
WO-2023064458-A1 SELECTIVE JAK2 INHIBITORS AND METHODS OF USE YALE UNIVERSITY (US) 2023-04-20 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-20250034112-A1 IMPROVED SELECTIVE JAK2 INHIBITORS AND METHODS OF USE JAK2, JAK1, MCL1 CTSS 4376/4885CTSK 3614/4885ALDH1A1 3859/4885

“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.