SCHEMBL363529

SCHEMBL363529

CCOC(=O)C(C#N)C(c1ccc(Br)cc1)c1ccc(Cl)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 6/20 0.39
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
S1PR1 P21453 3/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 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
SCHEMBL1978550 0.87 GAA (0.42) MAPK1GAAS1PR1S1PR4SMN1; SMN2
SCHEMBL362884 0.86 MAPK1 (0.37) MAPK1GAAS1PR1S1PR4SMN1; SMN2
SCHEMBL27906130 0.86 S1PR3 (0.42) S1PR3S1PR1S1PR2S1PR4MEN1
SCHEMBL1390375 0.83 SMN1; SMN2 (0.42) MAPK1GAAS1PR1S1PR4SMN1; SMN2
SCHEMBL13214510 0.80 SLC6A3 (0.44) S1PR3MAPK1GAAS1PR1S1PR4
SCHEMBL365798 0.80 GAA (0.37) MAPK1GAASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL370828 0.79 GAA (0.43) MAPK1GAAS1PR1S1PR4SMN1; SMN2
SCHEMBL3013426 0.77 S1PR3 (0.40) S1PR3MAPK1GAAS1PR1S1PR2
SCHEMBL370827 0.75 GAA (0.43) MAPK1GAAS1PR1S1PR4SMN1; SMN2
SCHEMBL362794 0.75 GAA (0.41) MAPK1GAASMN1; SMN2L3MBTL1ALDH1A1

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 S1PR3 668/4885MAPK1 1135/4885GAA 2696/4885

“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.