SCHEMBL5664837

SCHEMBL5664837

CCOP(=O)(CP(=O)(OCC)c1ccc(N)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.41
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
MMP9 P14780 4/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
ADAM17 P78536 2/20 0.34
ADAM9 Q13443 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
PPARD Q03181 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
SCHEMBL13334530 0.84 AOX1 (0.41) AOX1TSHRLMNACYP3A4MMP9
SCHEMBL12258671 0.80 AOX1 (0.45) AOX1TSHRTDP1LMNASMN1; SMN2
SCHEMBL2958530 0.79 FPR2 (0.39) AOX1TSHRLMNACYP3A4GAA
SCHEMBL5664855 0.79 MEN1 (0.44) AOX1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5663666 0.78 CA1 (0.54) AOX1TSHRLMNACYP3A4MEN1
SCHEMBL13361800 0.76 MAPT (0.46) TSHRTDP1LMNARAB9AMEN1
SCHEMBL5663483 0.76 MEN1 (0.60) TSHRTDP1LMNACYP1A2CYP3A4
SCHEMBL2031067 0.76 TDP1 (0.43) TSHRTDP1LMNACYP1A2CYP3A4
SCHEMBL479061 0.73 CCNT1 (0.46) TSHRTDP1LMNACYP1A2CYP3A4
SCHEMBL282472 0.72 TSHR (0.67) TSHRTDP1GAAMEN1KMT2A

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432277-B2 Phosphorus-containing macrocycles ARAID GENE THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7432277-B2 Phosphorus-containing macrocycles ARAID GENE THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
WO-2007024745-A2 PHOSPHORUS-CONTAINING MACROCYCLES ARIAD GENE THERAPEUTICS, INC. (US) 2007-03-01 WO disclosed
EP-1244679-B1 PURINE DERIVATIVES ARIAD PHARMA INC (US) 2006-11-15 EP disclosed
US-7132427-B2 Quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-7115589-B2 Purine derivatives ARIAD PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1259520-B1 NOVEL PURINES ARIAD PHARMA INC (US) 2006-05-24 EP disclosed
EP-1463742-A4 NOVEL PYRAZOLO-AND PYRROLO-PYRIMIDINES AND USES THEREOF ARIAD PHARMA INC (US) 2006-05-10 EP disclosed
EP-1412367-A4 NOVEL QUINOLINES AND USES THEREOF ARIAD PHARMA INC (US) 2006-05-03 EP disclosed
US-7019139-B2 Quinolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-28 US disclosed
EP-1259520-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2002-11-27 EP disclosed
EP-1246829-A1 NOVEL HETEROCYCLES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-09 EP disclosed
EP-1244679-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-02 EP disclosed
US-20020132819-A1 Novel purinse ARIAD PHARMACETICALS, INC. 2002-09-19 US disclosed
US-20020103161-A1 Novel heterocycles ARIAD PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001044260-A9 NOVEL PURINES ARIAD PHARMA INC (US) 2002-07-04 WO disclosed
US-20020068721-A1 Purine derivatives ARIAD PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2001044260-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 WO disclosed
WO-2001044259-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 WO disclosed
WO-2001044258-A1 NOVEL HETEROCYCLES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 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 (3 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-20020068721-A1 Purine derivatives HPRT1, PNP, TYMP AOX1 822/4885TSHR 1744/4885TDP1 224/4885
US-20020132819-A1 Novel purinse PURB, NUDT15, NT5C2 AOX1 3967/4885TSHR 4657/4885TDP1 190/4885
US-20020103161-A1 Novel heterocycles BMP2, SOST, BMP4 AOX1 2758/4885TSHR 2286/4885TDP1 2801/4885

“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.