SCHEMBL1661987

SCHEMBL1661987

CCOC(=O)C(C(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MMP8 P22894 1/20 0.35
TRPA1 O75762 1/20 0.34
CPB2 Q96IY4 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL425250 0.83 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL26604257 0.82 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL1455828 0.80 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL3086153 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27277570 0.79 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2439297 0.78 HTT (0.40) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL5153170 0.78 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL2886165 0.78 CYP2C9 (0.40) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL19585291 0.78 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL8750501 0.77 KMT2A (0.33) CYP1A2CYP2C9CYP2C19HTTLMNA

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-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 CYP1A2 1690/4885CYP2C9 3802/4885CYP2C19 2670/4885

“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.