SCHEMBL2025537

SCHEMBL2025537

OCCOc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
S1PR1 P21453 1/20 0.43
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RAF1 P04049 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38
NR1I2 O75469 1/20 0.38
AR P10275 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2098125 0.86 MAPT (0.38) RAF1SMN1; SMN2NOTUMARMAPT
SCHEMBL3718454 0.83 PDK2 (0.43) PDK2ALDH1A1CA1CA12CA9
SCHEMBL586317 0.81 PTPN7 (0.45) PDK2S1PR1ALDH1A1RECQLFFAR4
SCHEMBL14937673 0.81 KDM4E (0.45) ALDH1A1RAF1SMN1; SMN2NOTUMAR
SCHEMBL5461057 0.80 PDK2 (0.43) PDK2S1PR1ALDH1A1RECQLFFAR4
SCHEMBL16028623 0.80 GPR84 (0.53) PDK2S1PR1ALDH1A1RECQLFFAR4
SCHEMBL2098124 0.79 AR (0.39) RAF1SMN1; SMN2NOTUMARMAPT
SCHEMBL3108999 0.79 NQO1 (0.45) PDK2ALDH1A1RAF1CYP3A4AR
SCHEMBL30649163 0.79 NQO1 (0.45) PDK2ALDH1A1RAF1CYP3A4AR
SCHEMBL12578483 0.79 PDE3B (0.42) RAF1SMN1; SMN2NOTUMTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426775-B Oxadiazolidinedione compound ASTELLAS PHARMA INC 2012-10-31 CN disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
EP-2011788-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2009-01-07 EP 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-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 PDK2 1047/4885S1PR1 855/4885ALDH1A1 3249/4885
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 PDK2 1081/4885S1PR1 758/4885ALDH1A1 2370/4885

“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.