SCHEMBL13033248

SCHEMBL13033248

CCOC(=O)C(=CC1CCCC1)c1ccc(SC2CC2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE4B Q07343 1/20 0.36
HPGD P15428 2/20 0.36
CA2 P00918 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.32
ALOX15 P16050 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL3512927 0.91 PDE4B (0.35) ALDH1A1MEN1KMT2APDE4BHPGD
SCHEMBL3512925 0.91 PDE4B (0.35) ALDH1A1MEN1KMT2APDE4BHPGD
SCHEMBL13609532 0.90 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APDE4BHPGD
SCHEMBL13609530 0.88 PDE4B (0.38) ALDH1A1MEN1KMT2APDE4BHPGD
SCHEMBL13033254 0.87 PDE4B (0.34) ALDH1A1MEN1KMT2APDE4BHPGD
SCHEMBL4265499 0.83 RAB9A (0.37) ALDH1A1MEN1KMT2APDE4BHPGD
SCHEMBL4265493 0.83 RAB9A (0.37) ALDH1A1MEN1KMT2APDE4BHPGD
SCHEMBL13033309 0.82 TSHR (0.35) ALDH1A1MEN1KMT2APDE4BMAPK1
SCHEMBL13144828 0.82 HPGD (0.36) ALDH1A1MEN1KMT2AHPGDCA2
SCHEMBL13033252 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDCA2

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-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 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 (2 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC ALDH1A1 2061/4885MEN1 4791/4885KMT2A 380/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR ALDH1A1 1865/4885MEN1 4615/4885KMT2A 1111/4885

“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.