SCHEMBL3452879

SCHEMBL3452879

CC/C(=C\C(=O)O)c1cccc(-c2cnc(Nc3cc(F)cc(F)c3)nc2S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.38
PTGS2 P35354 1/20 0.38
CDK2 P24941 7/20 0.37
CDK9 P50750 7/20 0.37
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
WEE1 P30291 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SYK P43405 3/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
EIF4EBP1 Q13541 1/20 0.34

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
SCHEMBL3451567 0.88 EGFR (0.44) PTK2CDK2CDK9CCNT1CCNE1
SCHEMBL3448177 0.85 PTK2 (0.40) PTK2PTGS2CDK2CDK9CCNT1
SCHEMBL3452880 0.82 PTGS2 (0.38) PTK2PTGS2CDK2CDK9CCNT1
SCHEMBL3345818 0.80 PIM2 (0.43) PTK2PTGS2CDK2CDK9CCNT1
SCHEMBL3450788 0.79 IDH1 (0.41) SYK
SCHEMBL3448896 0.78 SYK (0.39) SYK
SCHEMBL3452877 0.76 CDK2 (0.40) CDK2CDK9SYK
SCHEMBL3342145 0.73 CDK2 (0.40) PTK2CDK2CDK9HDAC3HDAC1
SCHEMBL3449925 0.73 SYK (0.42) PTK2CDK2SYK
SCHEMBL3451325 0.73 SYK (0.42) PTK2SYK

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PTK2 3971/4885PTGS2 355/4885CDK2 2258/4885

“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.