SCHEMBL5037387

SCHEMBL5037387

CCOC(C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(OC(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
F10 P00742 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RORC P51449 1/20 0.36
ACACB O00763 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
PPARA Q07869 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5037390 1.00 SMN1; SMN2 (0.38) SMN1; SMN2GAAEPHX2NPC1RAB9A
SCHEMBL5037500 0.90 VNN1 (0.42) GAAEPHX2RAB9AHIF1AF10
SCHEMBL5037504 0.90 VNN1 (0.42) GAAEPHX2RAB9AHIF1AF10
SCHEMBL5042131 0.88 EPHX2 (0.40) EPHX2RAB9AHIF1AF10SLC1A3
SCHEMBL5042129 0.88 EPHX2 (0.40) EPHX2RAB9AHIF1AF10SLC1A3
SCHEMBL5045523 0.87 SLC1A2 (0.39) EPHX2HIF1ASLC1A3SLC1A2PPARA
SCHEMBL5045525 0.87 SLC1A2 (0.39) EPHX2HIF1ASLC1A3SLC1A2PPARA
SCHEMBL5045183 0.86 SLC1A3 (0.41) SMN1; SMN2EPHX2HIF1AF10SLC1A3
SCHEMBL5045182 0.86 SLC1A3 (0.41) SMN1; SMN2EPHX2HIF1AF10SLC1A3
SCHEMBL5041919 0.85 F10 (0.45) RAB9AF10SLC1A3SLC1A2PPARA

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 SMN1; SMN2 3242/4885GAA 1312/4885EPHX2 1557/4885

“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.