SCHEMBL5773232

SCHEMBL5773232

CCOC(=O)c1conc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD2 Q15562 1/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK3 P52333 3/20 0.43
JAK2 O60674 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
ACR P10323 1/20 0.39
CASP1 P29466 2/20 0.39

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
SCHEMBL5771314 0.91 TEAD2 (0.48) TEAD2NPC1MEN1KMT2AATM
SCHEMBL5774923 0.89 TEAD2 (0.54) TEAD2JAK3JAK2CYP4F2CYP4A11
SCHEMBL5769963 0.83 MEN1 (0.41) TEAD2NPC1MEN1KMT2AATM
SCHEMBL2929533 0.82 SMN1; SMN2 (0.52) NPC1MEN1KMT2APOLBKDM4E
SCHEMBL1776614 0.82 KDM4E (0.51) NPC1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL3978092 0.81 JAK2 (0.55) MEN1KMT2AATML3MBTL1JAK3
SCHEMBL11395576 0.81 JAK2 (0.55) KMT2AL3MBTL1JAK3JAK2KDM4E
SCHEMBL8163709 0.78 TSHR (0.44) ATMJAK3JAK2CYP4F2CYP4A11
SCHEMBL5772148 0.77 ALDH1A1 (0.53) NPC1MEN1KMT2AATMJAK3
SCHEMBL11396935 0.77 ALDH1A1 (0.56) NPC1MEN1KMT2AATML3MBTL1

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 TEAD2 4577/4885NPC1 2417/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TEAD2 4486/4885NPC1 1770/4885MEN1 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.