SCHEMBL4429925

SCHEMBL4429925

CC(C)(O)C(C)(C)OB(O)c1cccc(C(=O)NCCO)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
TP53BP1 Q12888 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LOX P28300 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FYN P06241 1/20 0.38
LMNA P02545 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL2208561 0.88 FYN (0.47) HSD17B10SMN1; SMN2HPGDTP53BP1L3MBTL1
SCHEMBL1366312 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMRGPRX4FYN
SCHEMBL12475742 0.84 HDAC8 (0.45) SMN1; SMN2POLBHPGDHTTL3MBTL1
SCHEMBL9893361 0.80 LOXL2 (0.42) SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL13571463 0.79 RXRA (0.40) HSD17B10SMN1; SMN2POLBHPGDKMT2A
SCHEMBL5083356 0.78 HPGD (0.51) HSD17B10SMN1; SMN2POLBHPGDHTT
SCHEMBL15192320 0.77 ATM (0.46) HSD17B10SMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL3319225 0.72 SMN1; SMN2 (0.65) HSD17B10SMN1; SMN2POLBHPGDHTT
SCHEMBL1015209 0.71 ALDH1A1 (0.45) HSD17B10SMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL3766770 0.71 CYP1A2 (0.45) HSD17B10POLBHPGDALDH1A1LMNA

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-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 HSD17B10 872/4885SMN1; SMN2 2612/4885POLB 2463/4885

“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.