SCHEMBL4872645

SCHEMBL4872645

COc1cccc(C2(C(=O)O)CCN(CC(F)(F)F)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.56
OPRM1 P35372 2/20 0.56
OPRK1 P41145 2/20 0.56
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGDS O60760 1/20 0.43
OPRL1 P41146 1/20 0.42
TET3 O43151 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
GRIN2B Q13224 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4878341 0.90 OPRM1 (0.57) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4881144 0.84 OPRM1 (0.52) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4881139 0.84 OPRD1 (0.47) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4878355 0.82 SIGMAR1 (0.60) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL1465003 0.81 KMT2A (0.50) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL521247 0.78 AKR1C1 (0.54) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL7467608 0.78 AKR1C1 (0.59) OPRD1OPRM1KMT2AMEN1ALDH1A1
SCHEMBL4876690 0.78 SOAT1 (0.54) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4883913 0.78 KMT2A (0.67) OPRD1OPRM1OPRK1KMT2AALDH1A1
SCHEMBL21874215 0.77 KDM1A (0.49) OPRD1OPRM1OPRK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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 (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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 OPRD1 628/4885OPRM1 1290/4885OPRK1 2515/4885

“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.