SCHEMBL5165664

SCHEMBL5165664

CC(C)(C)OP(=O)(OCCCO)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARD Q03181 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1632695 0.92 CYP3A4 (0.39) CYP3A4LPAR3LPAR1LPAR2TDP1
SCHEMBL3716029 0.87 CYP3A4 (0.34) CYP3A4TSHRPPARDALDH1A1
SCHEMBL3817581 0.81 CYP3A4 (0.67) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL379401 0.79 CYP3A4 (0.55) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL27577557 0.78 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL23671685 0.77 ALDH1A1 (0.50) CYP3A4TSHRTDP1PPARDALDH1A1
SCHEMBL29310328 0.76 TSHR (0.47) CYP3A4TSHRALDH1A1
SCHEMBL30886725 0.76 CA1 (0.35) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL3815405 0.76 CYP3A4 (0.46) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL28012459 0.76 CYP3A4 (0.46) CYP3A4LPAR3LPAR1LPAR2TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485085-A4 PHOSPHATE PRODRUGS OF FLUOROOXINDOLES BRISTOL MYERS SQUIBB CO (US) 2007-03-14 EP disclosed
US-6930100-B2 Phosphate prodrugs of fluoroxindoles BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-16 US disclosed
EP-1485085-A1 PHOSPHATE PRODRUGS OF FLUOROOXINDOLES Bristol-Myers Squibb Company (US) 2004-12-15 EP disclosed
US-20030195169-A1 Phosphate prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY 2003-10-16 US disclosed
WO-2003080047-A1 PHOSPHATE PRODRUGS OF FLUOROOXINDOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-02 WO 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 (1 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-20030195169-A1 Phosphate prodrugs of fluorooxindoles KCNA5, KCNN3, CACNA1E CYP3A4 525/4885LPAR3 609/4885LPAR1 763/4885

“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.