Sugi Predict

Sugi Predict / Compounds / SCHEMBL4715089

SCHEMBL4715089

SCHEMBL4715089

NCCCn1nc(-c2cccc(O)c2)cc1C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HSD17B13 Q7Z5P4 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGDS O60760 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL4715091 0.84 GABRA1 (0.47) GABRA1GABRB2TRPV4PTGER1CSNK1D
SCHEMBL14188462 0.81 GABRA1 (0.53) GABRA1GABRB2PTGER1CSNK1DPDE4B
SCHEMBL4996115 0.78 MAPKAPK2 (0.41) GABRA1GABRB2TRPV4PDE4BPDE4A
SCHEMBL4718583 0.78 MAPKAPK2 (0.40) SMN1; SMN2POLBMAPKAPK2HDAC1TDP1
SCHEMBL4714052 0.76 MAPKAPK2 (0.47) SMN1; SMN2MAPKAPK2HDAC1FYN
SCHEMBL4717070 0.72 MAPKAPK2 (0.47) MAPKAPK2HDAC1
SCHEMBL4718569 0.72 MAPKAPK2 (0.45) SMN1; SMN2POLBCSNK1DMAPKAPK2TDP1
SCHEMBL27619923 0.72 MAPKAPK2 (0.45) SMN1; SMN2POLBCSNK1DMAPKAPK2TDP1
SCHEMBL4791165 0.71 MAPKAPK2 (0.46) GABRA1GABRB2POLBPTGER1MAPKAPK2
SCHEMBL4713527 0.71 MAPKAPK2 (0.73) CSNK1DMAPKAPK2HDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 — — US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 — — EP disclosed
CN-1747949-A Acyclic pyrazole compounds PHARMACIA CORP (US) 2006-03-15 — — CN disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 — — EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 — — US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 — — WO 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 (2 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 GABRA1 3840/4885GABRB2 2977/4885SMN1; SMN2 3576/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 GABRA1 4073/4885GABRB2 3305/4885SMN1; SMN2 2997/4885

“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.