SCHEMBL22576897

SCHEMBL22576897

CC(C)(C)OC(=O)Cn1cc(C(=O)O)nn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
BCL2L11 O43521 2/20 0.38
BCL2L1 Q07817 2/20 0.38
MCL1 Q07820 2/20 0.38
GLA P06280 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 2/20 0.36
DPP4 P27487 1/20 0.36
SRC P12931 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL15562602 0.83 GLA (0.42) ALDH1A1LMNAGLAMAPK1DPP4
SCHEMBL6027707 0.80 ALDH1A1 (0.51) ALDH1A1LMNAGLAMAPK1SRC
SCHEMBL25014093 0.78 ALDH1A1 (0.42) ALDH1A1BCL2L11BCL2L1MCL1GLA
SCHEMBL4134269 0.77 DPP4 (0.43) ALDH1A1LMNAGLAMAPK1DPP4
SCHEMBL12673478 0.77 HSP90AB1 (0.43) ALDH1A1BCL2L11BCL2L1MCL1GLA
SCHEMBL15775419 0.76 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMAPK1DPP4
SCHEMBL20615682 0.76 DPP4 (0.40) ALDH1A1LMNAGLADPP4SRC
SCHEMBL28497312 0.75 MITF (0.39) ALDH1A1LMNABCL2L11BCL2L1MCL1
SCHEMBL4553447 0.75 SRC (0.49) BCL2L11BCL2L1MCL1SRCNR1H4
SCHEMBL23038456 0.74 ALDH1A1 (0.41) ALDH1A1BCL2L11BCL2L1MCL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383985-A1 Inhibitors of Protease Activated Receptor-2 MONASH UNIVERSITY (AU) 2020-12-10 US disclosed
US-20200383985-A1 Inhibitors of Protease Activated Receptor-2 MONASH UNIVERSITY (AU) 2020-12-10 US disclosed
EP-3727386-A1 INHIBITORS OF PROTEASE ACTIVATED RECEPTOR-2 Takeda Pharmaceutical Company Limited (JP) 2020-10-28 EP disclosed
CN-111698991-A Inhibitors of protease activated receptor-2 武田药品工业株式会社 2020-09-22 CN 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-20200383985-A1 Inhibitors of Protease Activated Receptor-2 F2RL1, F2R, F2RL3 ALDH1A1 4363/4885LMNA 1431/4885BCL2L11 2354/4885

“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.