SCHEMBL3595356

SCHEMBL3595356

CCOC(=O)C(O)(c1cn(Cc2ccccc2)c2c(OC)nccc12)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
THRB P10828 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR119 Q8TDV5 2/20 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
SCHEMBL3599317 0.90 PTPN1 (0.41) PTPN1GLABRD4CRHBPCRHR2
SCHEMBL3591313 0.82 GLA (0.41) PTPN1GLACRHBPCRHR2THRB
SCHEMBL3600727 0.82 MEN1 (0.46) PTPN1GLABRD4CRHBPCRHR2
SCHEMBL3602955 0.82 GLA (0.43) PTPN1GLACRHBPCRHR2THRB
SCHEMBL3592319 0.80 GLA (0.52) PTPN1GLAALDH1A1MAPK1POLB
SCHEMBL3597190 0.79 CES2 (0.38) GLACRHBPCRHR2THRBTAAR1
SCHEMBL13254021 0.78 PLA2G2A (0.54) PTPN1ALDH1A1
SCHEMBL3596257 0.78 GLA (0.39) PTPN1GLACRHBPCRHR2THRB
SCHEMBL3588146 0.77 PTPN1 (0.41) PTPN1GLAALDH1A1CRHBPCRHR2
SCHEMBL3600671 0.76 PTPN1 (0.47) PTPN1GLAALDH1A1SMN1; SMN2CRHBP

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 PTPN1 752/4885GLA 3982/4885ALDH1A1 4118/4885

“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.