SCHEMBL5111569

SCHEMBL5111569

COCOc1ccc(C=O)c(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
SCN9A Q15858 10/20 0.46
HPGD P15428 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LIPE Q05469 3/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL5112014 0.86 SCN9A (0.49) LMNASCN9ASCN10A
SCHEMBL5112029 0.86 SCN9A (0.49) LMNASCN9ASCN10A
SCHEMBL3204732 0.83 LMNA (0.52) LMNAHPGDSMN1; SMN2ALDH1A1LIPE
SCHEMBL5113718 0.78 MAPK1 (0.45) MAPK1LMNASCN9AHPGDSCN10A
SCHEMBL8027838 0.76 THRB (0.54) MAPK1LMNASCN9ASCN10AALDH1A1
SCHEMBL22090747 0.75 POLB (0.41) HPGDSMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL5121147 0.75 MAPK1 (0.45) MAPK1LMNASCN9AHPGDSCN10A
SCHEMBL3200445 0.75 ALDH1A1 (0.56) LMNAHPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3905573 0.73 ALDH1A1 (0.69) LMNATSHRALDH1A1POLBL3MBTL1
SCHEMBL3215665 0.73 PPARG (0.61) LMNAHPGDSMN1; SMN2ALDH1A1

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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 (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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 MAPK1 2249/4885LMNA 3761/4885SCN9A 781/4885

“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.