SCHEMBL2946167

SCHEMBL2946167

FC(F)(F)c1ccc2s[c]c(C(F)(F)F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MIF P14174 1/20 0.37
PTPN5 P54829 1/20 0.36
KIF11 P52732 7/20 0.36
EPHX2 P34913 4/20 0.34
SCN4A P35499 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CHUK O15111 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
SCHEMBL693897 0.80 KIF11 (0.38) G6PDKIF11KDM4E
SCHEMBL693311 0.80 KIF11 (0.41) G6PDTLR9MIFPTPN5KIF11
SCHEMBL692802 0.80 CYP2A6 (0.37) MIFMEN1KMT2AKDM4E
SCHEMBL3525196 0.75 EPHX2 (0.36) KIF11EPHX2
SCHEMBL693157 0.70 BCKDK (0.34) MIFMEN1KMT2AKDM4E
SCHEMBL693968 0.70 KIF11 (0.38) G6PDTLR9PTPN5KIF11EPHX2
SCHEMBL695756 0.69 KIF11 (0.40) KIF11EPHX2
SCHEMBL146618 0.69 KIF11 (0.37) G6PDTLR9MIFPTPN5KIF11
SCHEMBL145722 0.69 KIF11 (0.40) G6PDTLR9PTPN5KIF11EPHX2
SCHEMBL693075 0.69 KIF11 (0.35) G6PDKIF11KDM4E

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-7754754-B2 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds GRUENENTHAL GMBH (DE) 2010-07-13 US disclosed
US-20060025473-A1 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds GRUENENTHAL GMBH (DE) 2006-02-02 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 (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-20060025473-A1 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds AADAT, DDC, AADAC G6PD 1173/4885TLR9 4526/4885MIF 3895/4885

“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.