SCHEMBL3598788

SCHEMBL3598788

CCOC(=O)C(O)(c1cn(Cc2ccccc2)c2cc(NS(C)(=O)=O)ccc12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
GLA P06280 1/20 0.40
MAPK1 P28482 3/20 0.40
PTPN1 P18031 1/20 0.39
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
SERPINE1 P05121 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36
TAAR1 Q96RJ0 1/20 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
SCHEMBL3604598 0.90 MAPT (0.43) P2RX3ARMAPTSERPINE1KMT2A
SCHEMBL3588733 0.87 MAPK1 (0.42) P2RX3GLAMAPK1PTPN1MAPT
SCHEMBL3597954 0.84 GLA (0.50) GLAMAPK1NR3C1PGRNR3C2
SCHEMBL3600671 0.84 PTPN1 (0.47) P2RX3GLAMAPK1PTPN1MAPT
SCHEMBL3600338 0.84 GLA (0.43) P2RX3GLAMAPK1PTPN1F2RL3
SCHEMBL3592376 0.84 MAPT (0.46) PTPN1MAPTSERPINE1KMT2AMEN1
SCHEMBL3602094 0.83 GLA (0.42) P2RX3GLAMAPK1PTPN1NPSR1
SCHEMBL3598494 0.83 F2RL3 (0.45) P2RX3GLAMAPK1PTPN1MAPT
SCHEMBL3592319 0.83 GLA (0.52) GLAMAPK1PTPN1NPSR1F2RL3
SCHEMBL3596257 0.82 GLA (0.39) GLAMAPK1PTPN1NR3C1NR3C2

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 2 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
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 P2RX3 404/4885GLA 3982/4885MAPK1 703/4885

“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.