SCHEMBL5772294

SCHEMBL5772294

CCCCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.40
DGAT2 Q96PD7 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 4/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
MCHR1 Q99705 1/20 0.36
FAAH O00519 1/20 0.36
LMNA P02545 1/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL5771359 0.91 MEN1 (0.40) ENPP2DGAT2MEN1KMT2AMAPT
SCHEMBL5770235 0.88 MCHR1 (0.40) MEN1KMT2AMAPTHDAC1HDAC2
SCHEMBL5774020 0.86 MAPT (0.42) MEN1KMT2AMAPTHDAC1HDAC2
SCHEMBL5774956 0.83 MCHR1 (0.42) MEN1KMT2AMAPTHDAC1HDAC2
SCHEMBL5777412 0.83 KMT2A (0.40) ENPP2DGAT2MEN1KMT2AMAPT
SCHEMBL5777014 0.82 MEN1 (0.46) ENPP2DGAT2MEN1KMT2AMAPT
SCHEMBL5777451 0.82 MEN1 (0.41) ENPP2DGAT2MEN1KMT2AMAPT
SCHEMBL5777094 0.82 SMN1; SMN2 (0.40) MEN1KMT2AMAPTMCHR1LMNA
SCHEMBL5771726 0.82 LTA4H (0.46) ENPP2DGAT2MEN1KMT2AMAPT
SCHEMBL5773241 0.82 BTK (0.39) ENPP2DGAT2MEN1KMT2AMAPT

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 ENPP2 3244/4885DGAT2 717/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ENPP2 3032/4885DGAT2 663/4885MEN1 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.