SCHEMBL5773617

SCHEMBL5773617

OCCCc1cnoc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.44
SIRT2 Q8IXJ6 1/20 0.40
MLYCD O95822 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
TLR8 Q9NR97 1/20 0.37
KIF11 P52732 2/20 0.35
FAAH O00519 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL5772843 0.86 TRPV1 (0.41) TRPV1SIRT2MEN1KMT2ACYP11B1
SCHEMBL5777551 0.84 TDO2 (0.42) SIRT2MEN1KMT2ACYP11B1CYP11B2
SCHEMBL5773877 0.82 DHODH (0.38) TRPV1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL5773427 0.81 TDO2 (0.42) SIRT2MEN1KMT2ACYP11B1CYP11B2
SCHEMBL5774918 0.81 CYP19A1 (0.39) SIRT2MEN1KMT2AHDAC1HDAC2
SCHEMBL5774173 0.81 SIRT2 (0.52) SIRT2CYP11B1CYP11B2TLR8
SCHEMBL5774064 0.81 PPARA (0.42) SIRT2MEN1KMT2ACYP11B1CYP11B2
SCHEMBL5774001 0.81 FFAR1 (0.49) MLYCDHDAC1HDAC2HDAC8
SCHEMBL5776248 0.80 TDO2 (0.45) SIRT2CYP11B1CYP11B2
SCHEMBL5775635 0.79 MEN1 (0.39) TRPV1SIRT2MEN1KMT2ACYP11B1

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 TRPV1 2864/4885SIRT2 1426/4885MLYCD 1111/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TRPV1 3621/4885SIRT2 738/4885MLYCD 818/4885

“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.