SCHEMBL17627136

SCHEMBL17627136

FC(F)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.41
NOTUM Q6P988 3/20 0.34
PPARG P37231 1/20 0.34
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
MAPK6 Q16659 1/20 0.32
TNIK Q9UKE5 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
XDH P47989 1/20 0.31
KDM1A O60341 1/20 0.31
SCN2A Q99250 1/20 0.30

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
SCHEMBL17686763 0.85 TNIK (0.44) NOTUMMAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL17686764 0.77 NOTUM (0.44) NOTUMRAB9A
SCHEMBL17686758 0.71 AXL (0.54) MAPK1RAB9ASMN1; SMN2
SCHEMBL15519624 0.70 RAD51 (0.40) MAPK1SMN1; SMN2
SCHEMBL30989524 0.69 RXRA (0.42) IKBKBIDO1RXRARXRBRXRG
SCHEMBL14896097 0.66 NOTUM (0.58) IKBKBNOTUMMAPK1RAB9ASMN1; SMN2
SCHEMBL9482063 0.65 RXRA (0.54) IKBKBIDO1RXRARXRBRXRG
SCHEMBL13866628 0.62 RXRA (0.52) IKBKBIDO1RXRARXRBRXRG
SCHEMBL3294976 0.62 ALOX15 (0.34)
SCHEMBL30545008 0.62

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
EP-2999694-B1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM ALPHA,ALPHA -DIHALOAMINES BAYER CROPSCIENCE AG (DE) 2017-05-17 EP disclosed
US-9512081-B2 Process for preparing 3,5-bis(fluoroalkyl)pyrazole derivatives from α,α-dihaloamines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-12-06 US disclosed
US-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-2999694-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM ALPHA,ALPHA -DIHALOAMINES Bayer CropScience Aktiengesellschaft (DE) 2016-03-30 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-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES HDHD5, CYP4F3, AADAC IKBKB 3819/4885NOTUM 2231/4885PPARG 2662/4885

“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.