SCHEMBL3592270

SCHEMBL3592270

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.54
CREBBP Q92793 2/20 0.49
MCL1 Q07820 3/20 0.42
MAPK1 P28482 2/20 0.42
CDC25A P30304 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TBXAS1 P24557 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TERT O14746 1/20 0.40
CNR1 P21554 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
SCHEMBL3603389 0.90 GLA (0.57) GLACREBBPMAPK1ALDH1A1CNR1
SCHEMBL3599312 0.89 GLA (0.53) GLAMAPK1POLBNPSR1ALDH1A1
SCHEMBL3591542 0.89 GLA (0.57) GLACREBBPMAPK1POLBNPSR1
SCHEMBL3602137 0.88 GLA (0.50) GLACREBBPMAPK1POLBNPSR1
SCHEMBL3592319 0.86 GLA (0.52) GLAMAPK1POLBNPSR1ALDH1A1
SCHEMBL13254019 0.84 GLA (0.75) GLAMAPK1POLBNPSR1ALDH1A1
SCHEMBL3592685 0.81 GLA (0.49) GLACREBBPMAPK1POLBNPSR1
SCHEMBL3596804 0.79 GLA (0.54) GLAMAPK1POLBNPSR1ALDH1A1
SCHEMBL3606691 0.78 GLA (0.51) GLAMAPK1
SCHEMBL3600671 0.75 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 5 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
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
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 1178/4885MCL1 4531/4885

“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.