SCHEMBL2328241

SCHEMBL2328241

CC(C)(C)OC(=O)N1CC(CF)(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 2/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
CTSK P43235 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
SCHEMBL743894 0.88 CYP4F2 (0.43) USP2SMN1; SMN2NR1H2CYP4F2CYP4A11
SCHEMBL25272101 0.85 MMP2 (0.41) USP2SMN1; SMN2HPGDCYP4F2CYP4A11
SCHEMBL4581228 0.85 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL25699938 0.85 NR1H2 (0.44) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL28972272 0.84 USP2 (0.39) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL13011472 0.83 USP2 (0.41) USP2SMN1; SMN2NR1H2HPGDEPHX2
Hydrochloric Acid SCHEMBL23200988 0.82 USP2 (0.40) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL31748061 0.80 USP2 (0.38) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL30713542 0.80 NR1H2 (0.47) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL27330337 0.80 USP2 (0.38) USP2SMN1; SMN2NR1H2HPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
CN-102239164-B 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC 2013-10-30 CN disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
CN-102239164-A 2h-chromene compound and derivative thereof ASTELLAS PHARMA INC 2011-11-09 CN disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 USP2 4702/4885SMN1; SMN2 1254/4885NR1H2 47/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 USP2 4677/4885SMN1; SMN2 1550/4885NR1H2 12/4885

“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.