SCHEMBL21593357

SCHEMBL21593357

COc1cc(Br)cc(OC(F)F)c1C(=O)NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
SIK1 P57059 7/20 0.41
SIK2 Q9H0K1 7/20 0.41
SIK3 Q9Y2K2 7/20 0.41
ABL1 P00519 2/20 0.38
CSF1R P07333 2/20 0.38
LYN P07948 2/20 0.38
TGFBR1 P36897 2/20 0.38
TGFBR2 P37173 2/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
FAAH O00519 2/20 0.36
CNR2 P34972 1/20 0.36
EPHX2 P34913 1/20 0.35
AURKA O14965 1/20 0.35
LCK P06239 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35

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
SCHEMBL29954089 1.00 PTGS2 (0.42) PTGS2SIK1SIK2SIK3ABL1
SCHEMBL21593418 0.91 PTGS2 (0.47) PTGS2SIK1SIK2SIK3ABL1
SCHEMBL21593353 0.86 PTGS2 (0.33) PTGS2EPHX2MEN1LMNAKMT2A
SCHEMBL30130902 0.86 PTGS2 (0.33) PTGS2EPHX2MEN1LMNAKMT2A
SCHEMBL23162263 0.83 PTGS2 (0.44) PTGS2SIK1SIK2SIK3ABL1
SCHEMBL21591110 0.83 PTGS2 (0.44) PTGS2SIK1SIK2SIK3ABL1
SCHEMBL24169688 0.82 PTGS2 (0.46) PTGS2SIK1SIK2SIK3ABL1
SCHEMBL23162273 0.82 PTGS2 (0.40) PTGS2SIK1SIK2SIK3ABL1
SCHEMBL24169251 0.78 PTGS2 (0.40) PTGS2SIK1SIK2SIK3ABL1
SCHEMBL27452451 0.77 PTGS2 (0.47) PTGS2SIK1SIK2SIK3ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed
WO-2023066204-A1 SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2023-04-27 WO disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 US disclosed
WO-2020239658-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2020-12-03 WO disclosed
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 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-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1A, TNF, IL6 PTGS2 600/4885SIK1 3905/4885SIK2 4381/4885

“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.