SCHEMBL1707904

SCHEMBL1707904

O=Cc1cccc(OS(=O)(=O)C(F)(F)F)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 6/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR2 O60603 1/20 0.36
ERN1 O75460 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
DRD3 P35462 4/20 0.34
EPAS1 Q99814 2/20 0.34
HTR1D P28221 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD5 P21918 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL4887707 0.86 EPAS1 (0.38) ALDH1A1DRD2DRD3EPAS1DRD1
SCHEMBL1201009 0.83 ALDH1A1 (0.62) ALDH1A1LMNAGAAKMT2ADRD2
SCHEMBL28546606 0.81 ALDH1A1 (0.44) ALDH1A1LMNAGAAKMT2ADRD2
SCHEMBL27408036 0.81 ALDH1A1 (0.44) ALDH1A1LMNAGAAKMT2ADRD2
SCHEMBL20540002 0.80 DRD2 (0.44) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL3251151 0.79 CA1 (0.51) ALDH1A1LMNADRD2HPGDTLR2
SCHEMBL18982101 0.78 ERN1 (0.41) ALDH1A1ERN1EPAS1
SCHEMBL28115604 0.78 DRD2 (0.40) GAAKMT2ADRD2DRD3EPAS1
SCHEMBL3082218 0.78 MRGPRX4 (0.46) DRD2DRD3EPAS1HTR1DDRD4
SCHEMBL4115627 0.77 ALDH1A1 (0.40) ALDH1A1LMNAGAAKMT2AHPGD

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R ALDH1A1 3930/4885LMNA 4537/4885GAA 3185/4885

“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.