SCHEMBL2856937

SCHEMBL2856937

Cc1sc(-c2cc(OCc3cccnc3)cc(C(F)(F)F)c2)nc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
GPR132 Q9UNW8 2/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
DHODH Q02127 1/20 0.38
FFAR1 O14842 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
ALOX5 P09917 1/20 0.37
PSEN1 P49768 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36
KLKB1 P03952 2/20 0.36
NR4A2 P43354 2/20 0.35

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
SCHEMBL2859204 0.93 ALKBH1 (0.41) PPARGPPARAPPARDEGLN1MRGPRX4
SCHEMBL2859769 0.90 ALKBH1 (0.47) SYKPPARGPPARAEGLN1MRGPRX4
SCHEMBL12876719 0.89 ALKBH1 (0.44) PPARGPPARAPPARDFFAR1KDM4C
SCHEMBL12876679 0.88 MAPK14 (0.37) SYKPPARGPPARAPPARDDHODH
SCHEMBL2857069 0.87 PPARG (0.43) PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL2858914 0.86 ALOX5AP (0.38) SYKPPARGPPARAPPARDDHODH
SCHEMBL2856038 0.86 ALKBH1 (0.45) PPARGPPARAPPARDFFAR1
SCHEMBL2859879 0.84 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL2859175 0.84 PPARD (0.42) PPARGPPARAPPARDFFAR1
SCHEMBL2860240 0.84 PPARG (0.38) PPARGPPARAKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A SYK 360/4885GPR132 637/4885PPARG 139/4885

“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.