SCHEMBL5772985

SCHEMBL5772985

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)Cc1ccncc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPBAR1 Q8TDU6 7/20 0.36
SLC2A1 P11166 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
FAAH O00519 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL5775722 0.92 GSK3B (0.41) GSK3BS1PR1S1PR3SMN1; SMN2GPBAR1
SCHEMBL5771831 0.92 HDAC8 (0.34) GSK3BSLC2A1HDAC8NAMPT
SCHEMBL5774478 0.91 HIF1A (0.42) S1PR1SMN1; SMN2GPBAR1NR1H2NR1H3
SCHEMBL5773874 0.85 MAPT (0.42) SMN1; SMN2FAAHNAMPT
SCHEMBL5774573 0.85 LMNA (0.40) GSK3BHDAC1HDAC2HDAC8TRPV1
SCHEMBL5771105 0.85 GSK3B (0.39) GSK3BS1PR1S1PR3SMN1; SMN2HDAC1
SCHEMBL5773577 0.84 NAMPT (0.35) GSK3BHDAC1HDAC8NAMPT
SCHEMBL5776662 0.84 TRPV1 (0.37) SMN1; SMN2GPBAR1HDAC1HDAC2HDAC8
SCHEMBL5771107 0.82 HDAC4 (0.35) S1PR1SMN1; SMN2HDAC1HDAC2HDAC8
SCHEMBL5774056 0.82 TRPV1 (0.38) HDAC1HDAC2HDAC8TRPV1FAAH

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 GSK3B 1517/4885S1PR1 3313/4885S1PR3 1669/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GSK3B 2013/4885S1PR1 3402/4885S1PR3 3138/4885

“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.