SCHEMBL5041816

SCHEMBL5041816

COC(C(=O)NCc1ccc(C#N)cc1)c1ccc(OC(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ACACB O00763 3/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARA Q07869 1/20 0.38
GSK3B P49841 2/20 0.38
EPHX2 P34913 1/20 0.38
VNN1 O95497 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL5041820 1.00 HIF1A (0.41) HIF1AGAASMN1; SMN2PKMNPC1
SCHEMBL5037449 0.92 GSK3B (0.43) HIF1AGAAPKMRAB9AALDH1A1
SCHEMBL5037450 0.92 GSK3B (0.43) HIF1AGAAPKMRAB9AALDH1A1
SCHEMBL5042123 0.89 MMP2 (0.42) HIF1APKMACACBVNN1MMP2
SCHEMBL5042127 0.89 MMP2 (0.42) HIF1APKMACACBVNN1MMP2
SCHEMBL5047182 0.86 PKM (0.42) HIF1APKMPPARAGSK3BEPHX2
SCHEMBL5047186 0.86 PKM (0.42) HIF1APKMPPARAGSK3BEPHX2
SCHEMBL5043145 0.86 PKM (0.44) HIF1ASMN1; SMN2PKMALDH1A1LMNA
SCHEMBL5043135 0.86 PKM (0.44) HIF1ASMN1; SMN2PKMALDH1A1LMNA
SCHEMBL5042135 0.86 POLB (0.48) HIF1AGAANPC1RAB9AALDH1A1

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 HIF1A 251/4885GAA 1312/4885SMN1; SMN2 3242/4885

“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.