SCHEMBL121197

SCHEMBL121197

COC(=O)CC(C[N+](=O)[O-])c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CNR1 P21554 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MC4R P32245 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
CNR2 P34972 1/20 0.36
CPA1 P15085 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
SCHEMBL1269175 0.87 MAPT (0.39) ALDH1A1CNR1KMT2ACYP3A4LMNA
SCHEMBL7687237 0.85 CNR1 (0.43) ALDH1A1CNR1CYP3A4CPA1
SCHEMBL7684336 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4GAACPA1
SCHEMBL121043 0.84 PSEN1 (0.40) ALDH1A1CNR1LMNA
SCHEMBL7686449 0.84 CYP2C19 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL6487215 0.84 ALDH1A1 (0.42) ALDH1A1CNR1CYP3A4GAALMNA
SCHEMBL6489372 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP3A4CPA1
SCHEMBL6477248 0.84 CYP2C9 (0.45) ALDH1A1KMT2ACYP3A4LMNACPA1
SCHEMBL6492632 0.84 ALDH1A1 (0.40) ALDH1A1CNR1CYP3A4CPA1
SCHEMBL13525416 0.83 CNR1 (0.42) ALDH1A1CNR1MEN1KMT2ACYP3A4

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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 ALDH1A1 685/4885CNR1 288/4885MEN1 1978/4885

“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.