SCHEMBL151123

SCHEMBL151123

CC(=O)NCC(C)([O])NCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL295464 0.80
Ammonia Solution, Strong SCHEMBL28281906 0.78 KDM4E (0.40) NPSR1KDM4EMAPK1HIF1APOLB
Hydrochloric Acid SCHEMBL6594526 0.78 KDM4E (0.40) NPSR1KDM4EMAPK1HIF1APOLB
SCHEMBL14970370 0.73
SCHEMBL15116744 0.72 GAA (0.30)
SCHEMBL10202748 0.70 KDM4E (0.37) NPSR1KDM4EMAPK1HIF1APOLB
SCHEMBL73996 0.68
SCHEMBL4439064 0.67 KDM4E (0.39) NPSR1KDM4EMAPK1HIF1APOLB
SCHEMBL15200246 0.67 KDM4E (0.42) NPSR1KDM4EMAPK1HIF1APOLB
SCHEMBL10311743 0.66

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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US claimed

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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 NPSR1 1821/4885KDM4E 3020/4885MAPK1 273/4885

“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.