SCHEMBL4246567

SCHEMBL4246567

CCc1cc(C(=O)OC)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
PYGL P06737 2/20 0.60
GAA P10253 1/20 0.51
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 4/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.47
RXFP1 Q9HBX9 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL4238456 0.87 ALDH1A1 (0.67) ALDH1A1L3MBTL1PYGLGAAKDM4E
SCHEMBL4238253 0.86 L3MBTL1 (0.49) ALDH1A1L3MBTL1GAAKDM4EKMT2A
SCHEMBL4250927 0.85 ALDH1A1 (0.64) ALDH1A1L3MBTL1PYGLGAAKDM4E
SCHEMBL7853474 0.81 GAA (0.51) ALDH1A1L3MBTL1GAAKDM4EKMT2A
SCHEMBL18083797 0.80 GAA (0.50) ALDH1A1L3MBTL1GAAKDM4EKMT2A
SCHEMBL3994741 0.77 ALDH1A1 (0.76) ALDH1A1L3MBTL1GAAKDM4EKMT2A
SCHEMBL1818135 0.76 ALDH1A1 (0.80) ALDH1A1L3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL13878276 0.76 ALDH1A1 (0.62) ALDH1A1L3MBTL1KDM4EKMT2ARAB9A
SCHEMBL4115648 0.75 CA12 (0.50) ALDH1A1L3MBTL1GAAKDM4EKMT2A
SCHEMBL20601683 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1PYGLGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271348-B1 NEW FYN KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2019-01-30 EP disclosed
US-20180111919-A1 NEW FYN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2018-04-26 US disclosed
EP-3070084-A1 NEW FYN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2016-09-21 EP disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 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 (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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 ALDH1A1 780/4885L3MBTL1 4480/4885PYGL 738/4885
US-20180111919-A1 NEW FYN KINASE INHIBITORS FYN, LCK, LYN ALDH1A1 3694/4885L3MBTL1 4063/4885PYGL 1807/4885

“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.