SCHEMBL5774005

SCHEMBL5774005

CCOP(=O)(CCCNC(=O)CCc1cnoc1-c1ccc(F)cc1)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 4/20 0.36
HDAC6 Q9UBN7 5/20 0.35
MAPT P10636 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34

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
SCHEMBL5774669 0.94 HPGD (0.37) LMNASMN1; SMN2RAB9ATP53NPC1
SCHEMBL5773408 0.85 LMNA (0.48) LMNASMN1; SMN2RAB9ATP53NPC1
SCHEMBL5774956 0.83 MCHR1 (0.42) LMNASMN1; SMN2RAB9ANPC1HTT
SCHEMBL5775822 0.82 HPGD (0.49) LMNASMN1; SMN2TP53KDM4EPOLB
SCHEMBL5776587 0.80 LMNA (0.40) LMNASMN1; SMN2RAB9ATP53NPC1
SCHEMBL5772132 0.80 LMNA (0.54) LMNASMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL5771359 0.80 MEN1 (0.40) LMNASMN1; SMN2TSHRMAPTEPHX2
SCHEMBL5774014 0.79 KDM4E (0.44) LMNASMN1; SMN2HTTKDM4ETSHR
SCHEMBL5773717 0.78 L3MBTL1 (0.52) LMNARAB9ANPC1TSHRHPGD
SCHEMBL5770095 0.77 LTA4H (0.48) LMNASMN1; SMN2TP53TSHRMAPT

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 LMNA 2770/4885SMN1; SMN2 3383/4885RAB9A 3076/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885SMN1; SMN2 2449/4885RAB9A 3507/4885

“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.