SCHEMBL5773683

SCHEMBL5773683

CC(C)OP(=O)(Cc1ccc(N)cc1)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
CYP19A1 P11511 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GFER P55789 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KLK8 O60259 1/20 0.33
PLAU P00749 1/20 0.33
KLK2 P20151 1/20 0.33

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
SCHEMBL9449096 0.81 CYP1A2 (0.38) ALDH1A1CYP3A4L3MBTL1PGK1PGK2
SCHEMBL5403459 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TSHRL3MBTL1POLB
SCHEMBL2034729 0.80 MAOB (0.41) CYP19A1ALDH1A1L3MBTL1PGK1PGK2
SCHEMBL914693 0.79 FDPS (0.41) FDPSCYP19A1ALDH1A1TDP1GFER
SCHEMBL7842062 0.78 ALDH1A1 (0.36) ALDH1A1TDP1L3MBTL1PGK1PGK2
SCHEMBL913793 0.77 FDPS (0.40) FDPSCYP19A1ALDH1A1TDP1GFER
SCHEMBL5770723 0.76 AKR1C3 (0.47) ALDH1A1CYP3A4TSHRLOXL2
SCHEMBL479061 0.76 CCNT1 (0.46) FDPSALDH1A1TDP1GFERCYP3A4
SCHEMBL15167096 0.75 HMGCR (0.54)
SCHEMBL2031315 0.75 GLA (0.45) FDPSALDH1A1TDP1GFERCYP3A4

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 FDPS 3485/4885CYP19A1 117/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FDPS 3514/4885CYP19A1 62/4885ALDH1A1 682/4885

“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.