SCHEMBL5773409

SCHEMBL5773409

CCOC(=O)c1conc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
DHODH Q02127 1/20 0.45
MLYCD O95822 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPM2 O94759 1/20 0.43
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11396911 0.85 MEN1 (0.53) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1776614 0.85 KDM4E (0.51) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8163709 0.84 TSHR (0.44) MAPTKDM4ESMN1; SMN2RAB9AIDO1
SCHEMBL21590765 0.83 KDM4E (0.42) MAPTKDM4EMLYCDSMN1; SMN2NPC1
SCHEMBL2929533 0.83 SMN1; SMN2 (0.52) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5772148 0.83 ALDH1A1 (0.53) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11396935 0.82 ALDH1A1 (0.56) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28907770 0.78 KDM4E (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16974089 0.78 KDM4E (0.50) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL20241126 0.78 ALDH1A1 (0.42) MAPTSMN1; SMN2NPC1RAB9ATSHR

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 4701/4885KDM4E 3953/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885KDM4E 3347/4885MEN1 2072/4885

“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.