SCHEMBL4394375

SCHEMBL4394375

CC(C)(CO)NCC(=O)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
KAT6A Q92794 6/20 0.45
GAA P10253 1/20 0.45
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40

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
SCHEMBL10338190 0.85 PTPN1 (0.53) PTPN1ERCC5FEN1KAT6AGAA
SCHEMBL6419873 0.78 GAA (0.56) KAT6AGAACES2CES1ALDH1A1
SCHEMBL4400325 0.77 KMT2A (0.50) PTPN1ERCC5FEN1GAACES1
SCHEMBL22591905 0.76 GAA (0.58) PTPN1ERCC5FEN1KAT6AGAA
Ammonia Solution, Strong SCHEMBL28774251 0.76 GAA (0.59) KAT6AGAACES2CES1ALDH1A1
SCHEMBL4400331 0.74 PLOD2 (0.49) PTPN1ADRB2ADRB1ADRB3CES2
SCHEMBL20508992 0.73 PTPN1 (0.74) PTPN1ERCC5FEN1KAT6AGAA
SCHEMBL719252 0.73 PTPN1 (0.53) PTPN1ERCC5FEN1KAT6AGAA
SCHEMBL4397431 0.73 HTT (0.47) CES2CES1MEN1KMT2ACTNNB1
SCHEMBL8343202 0.72 CES2 (0.60) PTPN1ERCC5FEN1KAT6AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
US-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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 (2 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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 PTPN1 4590/4885ERCC5 4175/4885FEN1 4842/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 PTPN1 4734/4885ERCC5 3974/4885FEN1 4815/4885

“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.