SCHEMBL3585213

SCHEMBL3585213

CCOC(=O)C(O)(c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.44
PTPN1 P18031 1/20 0.44
ELANE P08246 2/20 0.44
MAPT P10636 2/20 0.41
AR P10275 2/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
CTRB1 P17538 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38

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
SCHEMBL3590933 0.93 AR (0.40) PLA2G2APTPN1ELANEMAPTAR
SCHEMBL3583780 0.85 F2RL3 (0.47) PLA2G2APTPN1MAPTF2RL3ALDH1A1
SCHEMBL3591579 0.85 PTPN1 (0.46) PLA2G2APTPN1F2RL3
SCHEMBL3592319 0.84 GLA (0.52) PTPN1CNR1CNR2F2RL3KMT2A
SCHEMBL13254021 0.84 PLA2G2A (0.54) PLA2G2APTPN1ALDH1A1LMNA
SCHEMBL3585689 0.83 PTPN1 (0.37) PLA2G2APTPN1MAPTCNR1ACHE
SCHEMBL3598928 0.82 F2RL3 (0.48) PTPN1MAPTCNR2F2RL3KMT2A
SCHEMBL13282332 0.81 PTPN1 (0.39) PLA2G2APTPN1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3592510 0.81 CNR1 (0.38) PLA2G2APTPN1MAPTCNR1ACHE
SCHEMBL3597190 0.81 CES2 (0.38) MAPTACHEF2RL3KMT2ALMNA

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 PLA2G2A 3533/4885PTPN1 752/4885ELANE 2384/4885

“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.