SCHEMBL5773001

SCHEMBL5773001

CCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(SC)cc2)cc1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
FPR2 P25090 1/20 0.38
ENTPD1 P49961 1/20 0.37
MAPT P10636 6/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.36
GLA P06280 1/20 0.35
ENPP2 Q13822 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
ENTPD2 Q9Y5L3 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 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
SCHEMBL5777451 0.89 MEN1 (0.41) LTA4HEPHX2FPR2ENTPD1MAPT
SCHEMBL5777014 0.89 MEN1 (0.46) LTA4HEPHX2ENTPD1MAPTLMNA
SCHEMBL5771359 0.89 MEN1 (0.40) LTA4HEPHX2ENTPD1MAPTLMNA
SCHEMBL5771726 0.89 LTA4H (0.46) LTA4HEPHX2ENTPD1MAPTLMNA
SCHEMBL5776175 0.87 LTA4H (0.38) LTA4HEPHX2ENTPD1MAPTLMNA
SCHEMBL5775867 0.87 TP53 (0.46) LTA4HEPHX2FPR2MAPTLMNA
SCHEMBL5776211 0.86 LTA4H (0.37) LTA4HEPHX2ENTPD1MAPTLMNA
SCHEMBL5773486 0.86 MAPT (0.41) LTA4HEPHX2MAPTLMNAKMT2A
SCHEMBL5777094 0.85 SMN1; SMN2 (0.40) LTA4HEPHX2MAPTLMNAKMT2A
SCHEMBL5773241 0.85 BTK (0.39) LTA4HEPHX2ENTPD1MAPTLMNA

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 LTA4H 3298/4885EPHX2 1846/4885FPR2 2717/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LTA4H 3891/4885EPHX2 2389/4885FPR2 1967/4885

“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.