SCHEMBL2516499

SCHEMBL2516499

CC(C)(C)OC(=O)Nc1ccc(C2CCC(C(=O)O)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
BRAF P15056 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 2/20 0.39
USP30 Q70CQ3 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
DGAT1 O75907 1/20 0.38
BTK Q06187 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
HTT P42858 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
SCHEMBL2988268 0.86 ALDH1A1 (0.43) CYP17A1BRAFNPC1KMT2AKCNQ4
SCHEMBL2988271 0.86 ALDH1A1 (0.43) CYP17A1BRAFNPC1KMT2AKCNQ4
SCHEMBL13247945 0.86 ALDH1A1 (0.43) CYP17A1BRAFNPC1KMT2AKCNQ4
SCHEMBL12479648 0.84 USP30 (0.44) CYP17A1PDE4BNPC1USP30HRH3
SCHEMBL12478772 0.82 NAMPT (0.53) PDE4BUSP30HRH3BTK
SCHEMBL2493672 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DBRAF
SCHEMBL27949193 0.81 CYP17A1 (0.41) CYP17A1BRAFMAPK14USP30HRH3
SCHEMBL5868762 0.80 AAK1 (0.51) CYP17A1DGAT1AAK1
SCHEMBL30118378 0.80 AAK1 (0.51) CYP17A1DGAT1AAK1
SCHEMBL13247990 0.80 HRH3 (0.44) NPC1RAB9AHRH3

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
EP-2379516-A1 1,3,4-OXADIAZOLE DERIVATIVES AND THEIR USES TO TREAT DIABETES AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20100184813-A1 CHEMICAL COMPOUNDS 553 ASTRAZENECA AB (SE) 2010-07-22 US disclosed
WO-2010070343-A1 1,3,4-OXADIAZOLE DERIVATIVES AND THEIR USES TO TREAT DIABETES ASTRAZENECA AB (SE) 2010-06-24 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-20100184813-A1 CHEMICAL COMPOUNDS 553 GCGR, DGAT1, GPBAR1 CYP17A1 294/4885PDE4A 2862/4885PDE4B 2132/4885

“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.