SCHEMBL17035968

SCHEMBL17035968

[2H]c1cnc2ccc(C(CCOS(C)(=O)=O)c3ccccc3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.38
PDE4D Q08499 4/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 2/20 0.34
NR3C1 P04150 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL17953926 0.82 PDE4D (0.48) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL17035965 0.78 LMNA (0.41) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL17035966 0.78 HRH1 (0.49) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL3391000 0.76 HRH1 (0.42) ALDH1A1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL17035964 0.74 ALDH1A1 (0.46) PDE4DALDH1A1LMNASMN1; SMN2MET
SCHEMBL5492188 0.72 CHRNB2 (0.44)
SCHEMBL17035971 0.70 MET (0.43) ALDH1A1LMNASMN1; SMN2METNR3C1
SCHEMBL17035974 0.68 LMNA (0.37) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL6981260 0.68 LMNA (0.48) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL9395993 0.67 MTNR1A (0.51) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-20160213677-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-07-28 US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 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-20150239883-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 PDE4A 1214/4885PDE4D 1122/4885PDE4B 986/4885
US-20160213677-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 PDE4A 1214/4885PDE4D 1122/4885PDE4B 986/4885

“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.