SCHEMBL3603389

SCHEMBL3603389

CCCn1cc(C(O)(C(=O)OCC)C(F)(F)F)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
CNR2 P34972 10/20 0.45
CNR1 P21554 7/20 0.45
CREBBP Q92793 1/20 0.45
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3591542 0.92 GLA (0.57) GLACREBBPMAPK1ALDH1A1
SCHEMBL3592270 0.90 GLA (0.54) GLACNR1CREBBPMAPK1ALDH1A1
SCHEMBL3599312 0.87 GLA (0.53) GLAMAPK1KDM4EALDH1A1
SCHEMBL13254019 0.87 GLA (0.75) GLAMAPK1ALDH1A1
SCHEMBL3592319 0.86 GLA (0.52) GLACNR2CNR1MAPK1ALDH1A1
SCHEMBL3602137 0.86 GLA (0.50) GLACNR2CNR1CREBBPMAPK1
SCHEMBL3592685 0.84 GLA (0.49) GLACREBBPMAPK1ALDH1A1
SCHEMBL3596804 0.81 GLA (0.54) GLAMAPK1ALDH1A1HSD17B10
SCHEMBL3606691 0.79 GLA (0.51) GLAMAPK1
SCHEMBL3600671 0.76 PTPN1 (0.47) GLAMAPK1ALDH1A1

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 3982/4885CNR2 1364/4885CNR1 582/4885

“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.