SCHEMBL25411850

SCHEMBL25411850

CC(C)(C)OC(=O)Nc1cc(C(CCN2C(=O)c3ccccc3C2=O)OS(C)(=O)=O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
RORC P51449 1/20 0.37
CCR2 P41597 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IGF1R P08069 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
IDO1 P14902 1/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL25412080 0.86 KDM4E (0.43) KDM4ERORCL3MBTL1IRAK4MMP2
SCHEMBL30597289 0.86 KDM4E (0.43) KDM4ERORCL3MBTL1IRAK4MMP2
SCHEMBL30597321 0.78 NOS2 (0.44) CCR2ALDH1A1
SCHEMBL26317567 0.78 NOS2 (0.44) CCR2ALDH1A1
SCHEMBL12596124 0.71 AAK1 (0.41) CCR2IGF1RGSK3BDYRK1A
SCHEMBL12695294 0.71 RAB9A (0.42) CCR2RAB9AIGF1RGSK3BDYRK1A
SCHEMBL12541193 0.71 AAK1 (0.41) CCR2IGF1RGSK3BDYRK1A
SCHEMBL25412994 0.70 KDM4E (0.48) KDM4EL3MBTL1MMP2MMP9ALDH1A1
SCHEMBL2808080 0.70 ATR (0.44) CCR2IRAK4IGF1RGSK3BDYRK1A
SCHEMBL15070169 0.70 ATR (0.44) IRAK4IGF1RGSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US 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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 KDM4E 2304/4885RORC 3475/4885CCR2 2593/4885

“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.