SCHEMBL5773119

SCHEMBL5773119

COc1cc(NC(=O)CCc2cnoc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 3/20 0.55
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 2/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5776674 0.90 SMN1; SMN2 (0.46) MAPTSMN1; SMN2TP53GAALMNA
SCHEMBL5775672 0.88 MAPT (0.50) MAPTSMN1; SMN2TP53GAALMNA
SCHEMBL5773332 0.85 CNR2 (0.51) MAPTSMN1; SMN2TP53LMNACNR2
SCHEMBL5773606 0.83 MAPT (0.48) MAPTSMN1; SMN2TP53GAALMNA
SCHEMBL5771411 0.83 TP53 (0.54) MAPTSMN1; SMN2TP53LMNACNR2
SCHEMBL5776826 0.81 CNR2 (0.48) MAPTSMN1; SMN2TP53GAALMNA
SCHEMBL5771681 0.81 TRPV1 (0.43) MAPTSMN1; SMN2TP53LMNAHTT
SCHEMBL5772907 0.81 TP53 (0.49) MAPTSMN1; SMN2TP53LMNACNR2
SCHEMBL5774003 0.80 MGLL (0.50) MAPTSMN1; SMN2TP53GAALMNA
SCHEMBL5775864 0.80 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TP53LMNACNR2

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 MAPT 4701/4885SMN1; SMN2 3383/4885TP53 4371/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885SMN1; SMN2 2449/4885TP53 4446/4885

“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.