SCHEMBL3602137

SCHEMBL3602137

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
CREBBP Q92793 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.40
CNR1 P21554 4/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3592685 0.90 GLA (0.49) GLACREBBPL3MBTL1MAPK1ALDH1A1
SCHEMBL3592270 0.88 GLA (0.54) GLACREBBPMAPK1CNR1ALDH1A1
SCHEMBL3603389 0.86 GLA (0.57) GLACREBBPMAPK1CNR1CNR2
SCHEMBL3591542 0.85 GLA (0.57) GLACREBBPL3MBTL1MAPK1ALDH1A1
SCHEMBL3599312 0.81 GLA (0.53) GLAL3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL13254019 0.81 GLA (0.75) GLAMAPK1ALDH1A1LMNANPSR1
SCHEMBL3592319 0.80 GLA (0.52) GLAL3MBTL1MAPK1CNR1CNR2
SCHEMBL3596804 0.76 GLA (0.54) GLAMAPK1ALDH1A1MAPTNPSR1
SCHEMBL31689011 0.73 CREBBP (0.49) CREBBPL3MBTL1CNR1CNR2ALDH1A1
SCHEMBL3606691 0.73 GLA (0.51) GLAMAPK1LMNATSHRSMN1; SMN2

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 3 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
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 3982/4885CREBBP 1178/4885L3MBTL1 3816/4885

“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.