SCHEMBL5771411

SCHEMBL5771411

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.52
XBP1 P17861 1/20 0.52
TRPV1 Q8NER1 1/20 0.49
HPGD P15428 1/20 0.42
CNR2 P34972 1/20 0.42
DHODH Q02127 3/20 0.41
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
THRB P10828 1/20 0.41
PIM1 P11309 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL5773332 0.88 CNR2 (0.51) TP53MAPTSMN1; SMN2CNR2DHODH
SCHEMBL5777091 0.86 MAPT (0.43) TP53MAPTSMN1; SMN2PKMXBP1
SCHEMBL5773606 0.86 MAPT (0.48) TP53MAPTSMN1; SMN2TRPV1CNR2
SCHEMBL5775672 0.84 MAPT (0.50) TP53MAPTSMN1; SMN2TRPV1CNR2
SCHEMBL5771066 0.83 MLYCD (0.47) TP53MAPTSMN1; SMN2CNR2DHODH
SCHEMBL5773119 0.83 MAPT (0.55) TP53MAPTSMN1; SMN2HPGDCNR2
Trifluoroacetic Acid SCHEMBL5771101 0.83 TP53 (0.46) TP53MAPTSMN1; SMN2TRPV1CNR2
SCHEMBL5772904 0.82 TP53 (0.48) TP53MAPTSMN1; SMN2CNR2DHODH
SCHEMBL5777094 0.82 SMN1; SMN2 (0.40) TP53MAPTSMN1; SMN2DHODHEPHX2
SCHEMBL5776826 0.82 CNR2 (0.48) TP53MAPTSMN1; SMN2TRPV1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR TP53 4371/4885MAPT 4701/4885SMN1; SMN2 3383/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TP53 4446/4885MAPT 4763/4885SMN1; SMN2 2449/4885

“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.