SCHEMBL2325860

SCHEMBL2325860

CC(C)(C)OC(=O)C(CO)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.71
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
SLC7A5 Q01650 1/20 0.36
BTN3A1 O00481 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
CTSK P43235 1/20 0.36
PTPRC P08575 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 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
SCHEMBL11938939 0.89 AAK1 (0.76) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL12440732 0.87 AAK1 (0.70) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL18782822 0.87 AAK1 (0.74) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL548006 0.86 AAK1 (0.68) AAK1TDP1SLC7A5ITGA4ITGB7
SCHEMBL895162 0.86 AAK1 (0.68) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL32672515 0.86 AAK1 (0.68) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL16116863 0.86 AAK1 (0.76) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL13251320 0.86 AAK1 (0.68) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL894724 0.86 AAK1 (0.68) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL30777019 0.86 AAK1 (0.68) AAK1ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199914-B2 Multiple substituted fluoromethanes as selective and bioactive isosteres MEH ASSOCIATES, INC. (US) 2015-12-01 US disclosed
EP-2531465-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH Associates, Inc (US) 2012-12-12 EP disclosed
US-20120302519-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC. (US) 2012-11-29 US disclosed
WO-2011097421-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC (US) 2011-08-11 WO disclosed
WO-2011097421-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC (US) 2011-08-11 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-20120302519-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES F2R, FDPS, MRGPRX2 AAK1 2032/4885ALDH1A1 1899/4885TSHR 756/4885

“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.