SCHEMBL4159024

SCHEMBL4159024

CCS(=O)(=O)c1cccc(-c2ccccc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.55
SCD O00767 1/20 0.53
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
KDR P35968 2/20 0.49
PSIP1 O75475 1/20 0.48
KAT6A Q92794 1/20 0.48
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2C9 P11712 5/20 0.46
CYP2C19 P33261 5/20 0.46
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
CYP2D6 P10635 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
FFAR1 O14842 1/20 0.45
GRIA4 P48058 2/20 0.44

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
SCHEMBL28022700 0.83 PTGS2 (0.51) BRD4SCDKAT6ANR1H2NR1H3
SCHEMBL308372 0.80 KAT6A (0.53) BRD4KAT6APTPRCPTPN1FFAR1
SCHEMBL14161390 0.80 CA1 (0.55) BRD4SCDKAT6APTPRCPTPN1
SCHEMBL14120596 0.80 KAT6A (0.50) SCDKAT6APTPRCPTPN1FFAR1
SCHEMBL4629461 0.79 PSIP1 (0.65) BRD4FLT1FLT4KDRPSIP1
SCHEMBL10305004 0.77 BRD4 (0.58) BRD4PSIP1NR1H2NR1H3CYP1A2
SCHEMBL29628986 0.74 PTPRC (0.55) KAT6APTPRCPTPN1FFAR1
SCHEMBL12856837 0.74 PTPRC (0.55) KAT6APTPRCPTPN1FFAR1
SCHEMBL17263850 0.74 PSIP1 (0.68) BRD4FLT1FLT4KDRPSIP1
SCHEMBL777610 0.73 PSIP1 (0.56) BRD4FLT1FLT4KDRPSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S BRD4 2322/4885SCD 256/4885FLT1 3730/4885

“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.