SCHEMBL3592685

SCHEMBL3592685

CCOC(=O)C(O)(c1cn(CC(=O)OC(C)(C)C)c2ccccc12)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL3602137 0.90 GLA (0.50) GLAALDH1A1MAPTLMNACYP1A2
SCHEMBL3599312 0.87 GLA (0.53) GLAALDH1A1MAPTLMNACYP1A2
SCHEMBL3591542 0.87 GLA (0.57) GLAALDH1A1MAPTLMNACYP1A2
SCHEMBL3603389 0.84 GLA (0.57) GLAALDH1A1MAPK1CREBBP
SCHEMBL3592319 0.82 GLA (0.52) GLAALDH1A1LMNACYP1A2CYP2C9
SCHEMBL3592270 0.81 GLA (0.54) GLAALDH1A1NPSR1POLBMAPK1
SCHEMBL13254019 0.80 GLA (0.75) GLAALDH1A1LMNANPSR1POLB
SCHEMBL3596804 0.77 GLA (0.54) GLAALDH1A1MAPTNPSR1POLB
SCHEMBL12479405 0.77 LMNA (0.68) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL8530934 0.76 MEN1 (0.59) ALDH1A1MAPTLMNACYP1A2CYP3A4

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 GLA 3982/4885ALDH1A1 4118/4885MAPT 4708/4885

“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.