SCHEMBL3600671

SCHEMBL3600671

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
P2RX3 P56373 1/20 0.45
GLA P06280 1/20 0.43
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
F2RL3 Q96RI0 1/20 0.41
KCNA3 P22001 4/20 0.41
SERPINE1 P05121 1/20 0.40
MAPK1 P28482 1/20 0.40
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN2A Q99250 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
SCHEMBL3600338 0.90 GLA (0.43) PTPN1P2RX3GLAKMT2AF2RL3
SCHEMBL3602094 0.89 GLA (0.42) PTPN1P2RX3GLAF2RL3SERPINE1
SCHEMBL3598494 0.89 F2RL3 (0.45) PTPN1P2RX3GLAMAPTF2RL3
SCHEMBL3592319 0.89 GLA (0.52) PTPN1GLAKMT2ALMNAF2RL3
SCHEMBL3588733 0.87 MAPK1 (0.42) PTPN1P2RX3GLAMAPTF2RL3
SCHEMBL13254027 0.87 PTPN1 (0.41) PTPN1P2RX3GLAF2RL3SERPINE1
SCHEMBL3600955 0.87 PPARG (0.49) PTPN1GLALMNASERPINE1
SCHEMBL3596187 0.87 GLA (0.40) PTPN1P2RX3GLALMNAMAPT
SCHEMBL3590933 0.86 AR (0.40) PTPN1GLALMNAMAPTF2RL3
SCHEMBL3597849 0.86 F2RL3 (0.46) PTPN1P2RX3GLAKMT2ALMNA

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 752/4885P2RX3 404/4885GLA 3982/4885

“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.