SCHEMBL14480409

SCHEMBL14480409

O=C(O)C(Oc1ccccc1)c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.36
PPARA Q07869 6/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALPL P05186 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM1 P11229 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MITF O75030 1/20 0.33
CCR6 P51684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27494778 0.88 SLC6A3 (0.35) PPARGPPARASLC6A3KDM4EALPL
SCHEMBL24327721 0.77 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL24327716 0.77 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL11063759 0.76 KDM4E (0.44) PPARGPPARASLC6A3KDM4EMTNR1A
SCHEMBL8589695 0.71 MTNR1A (0.37) PPARGPPARAKDM4EMTNR1AMTNR1B
SCHEMBL13324879 0.70 KDM4E (0.55) PPARGPPARAKDM4EGAACHRM1
SCHEMBL21881586 0.70 KDM4E (0.55) PPARGPPARAKDM4EGAACHRM1
SCHEMBL660871 0.70 KDM4E (0.55) PPARGPPARAKDM4EGAACHRM1
SCHEMBL8965196 0.70 MTNR1A (0.36) PPARGPPARAKDM4EMTNR1AMTNR1B
SCHEMBL16294922 0.69 MGAM (0.45) KDM4ESMN1; SMN2CYP1A2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927578-B2 Compositions and methods for the treatment of metabolic disorders BAYLOR COLLEGE OF MEDICINE (US) 2015-01-06 US disclosed
US-20130012538-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2013-01-10 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 (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-20130012538-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS FABP4, LIPC, FABP1 PPARG 261/4885PPARA 205/4885SLC6A3 3514/4885

“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.