SCHEMBL3590933

SCHEMBL3590933

CCOC(=O)C(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
PLA2G2A P14555 1/20 0.40
ELANE P08246 1/20 0.40
GLA P06280 1/20 0.39
PTPN1 P18031 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
NPBWR1 P48145 1/20 0.39
RAB9A P51151 1/20 0.39
MCHR1 Q99705 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
S1PR3 Q99500 1/20 0.37
SERPINE1 P05121 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3585213 0.93 PLA2G2A (0.44) ARPLA2G2AELANEPTPN1ALDH1A1
SCHEMBL3585689 0.90 PTPN1 (0.37) PLA2G2AGLAPTPN1PDE4APDE4B
SCHEMBL13282332 0.88 PTPN1 (0.39) PLA2G2AGLAPTPN1PDE4APDE4B
SCHEMBL3592510 0.88 CNR1 (0.38) PLA2G2AGLAPTPN1PDE4APDE4B
SCHEMBL3593202 0.88 PTPN1 (0.43) PLA2G2APTPN1PDE4APDE4BPDE4C
SCHEMBL3600338 0.86 GLA (0.43) GLAPTPN1ALDH1A1F2RL3SERPINE1
SCHEMBL3600671 0.86 PTPN1 (0.47) GLAPTPN1ALDH1A1MAPTF2RL3
SCHEMBL3588733 0.85 MAPK1 (0.42) GLAPTPN1PDE4APDE4BPDE4C
SCHEMBL3602094 0.85 GLA (0.42) PLA2G2AGLAPTPN1PDE4APDE4B
SCHEMBL3598494 0.85 F2RL3 (0.45) GLAPTPN1PDE4APDE4BPDE4C

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 4 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

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 AR 121/4885PLA2G2A 3533/4885ELANE 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.