SCHEMBL25599482

SCHEMBL25599482

COC(=O)c1cc(NC(=O)OC(C)(C)C)n(CCOCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
CYP2C9 P11712 1/20 0.41
PTGER1 P34995 1/20 0.41
PPARG P37231 1/20 0.41
CTSS P25774 1/20 0.40
JAK2 O60674 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SCD O00767 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
P2RY14 Q15391 1/20 0.37
MAPK14 Q16539 1/20 0.37
BRD4 O60885 1/20 0.36
CNR2 P34972 1/20 0.36
NOTUM Q6P988 1/20 0.36
SYK P43405 1/20 0.36
NR3C1 P04150 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL28632711 0.91 PPARA (0.42) PPARACYP2C9PTGER1PPARGCTSS
SCHEMBL25594884 0.91 PPARA (0.45) PPARACYP2C9PTGER1PPARGCTSS
SCHEMBL799063 0.87 PPARA (0.47) PPARACYP2C9PTGER1PPARGCTSS
SCHEMBL171962 0.82 CNR2 (0.38) MAPK14CNR2
SCHEMBL20852265 0.82 CYP2C9 (0.40) PPARACYP2C9PTGER1PPARGCTSS
SCHEMBL20661034 0.81 HPGD (0.44) NOTUMNR3C1
SCHEMBL172126 0.81 MAPK14 (0.39) PTGER1SCDBRD9MAPK14CNR2
SCHEMBL20661082 0.80 GRN (0.45) PTGER1NOTUMNR3C1
SCHEMBL26852495 0.78 PTGER1 (0.46) PPARACYP2C9PTGER1JAK2MAPK14
SCHEMBL25407400 0.75 MAPK14 (0.46) BRD9MAPK14CNR2

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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
WO-2023086319-A1 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-05-19 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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B PPARA 2305/4885CYP2C9 3278/4885PTGER1 2220/4885

“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.