SCHEMBL4996115

SCHEMBL4996115

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
TRPV4 Q9HBA0 1/20 0.37
FAAH O00519 3/20 0.37
HDAC1 Q13547 2/20 0.36
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
HDAC2 Q92769 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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 0.82 GABRA1 (0.47) MAPKAPK2TRPV4GABRA1GABRB2ADORA2A
SCHEMBL14188462 0.79 GABRA1 (0.53) MAPKAPK2GABRA1GABRB2ADORA2AADORA1
SCHEMBL4715089 0.78 GABRA1 (0.43) MAPKAPK2TRPV4FAAHHDAC1GABRA1
SCHEMBL4716100 0.75 GABRA1 (0.48) MAPKAPK2HDAC1GABRA1GABRB2HDAC2
Trifluoroacetic Acid SCHEMBL4714055 0.75 MAPKAPK2 (0.57) MAPKAPK2HDAC1HSD17B10
Hydrochloric Acid SCHEMBL4717533 0.74 GABRA1 (0.47) MAPKAPK2HDAC1GABRA1GABRB2HDAC2
SCHEMBL14188450 0.73 MAPKAPK2 (0.52) MAPKAPK2HDAC1
SCHEMBL5000205 0.73 MAPKAPK2 (0.50) MAPKAPK2HDAC1GABRA1GABRB2HDAC2
Hydrochloric Acid SCHEMBL4716157 0.73 GABRA1 (0.51) MAPKAPK2GABRA1GABRB2PDE4APDE4B
Hydrochloric Acid SCHEMBL4714314 0.73 MAPKAPK2 (0.52) MAPKAPK2HDAC1

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US 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

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 MAPKAPK2 2/4885TRPV4 2556/4885FAAH 3247/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885TRPV4 2425/4885FAAH 2362/4885

“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.