SCHEMBL3452880

SCHEMBL3452880

CCC(=Cc1cccc(-c2cnc(Nc3cc(F)cc(F)c3)nc2S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
EPHX2 P34913 1/20 0.36
CDK2 P24941 7/20 0.36
CDK9 P50750 7/20 0.36
PTK2 Q05397 3/20 0.35
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
WEE1 P30291 1/20 0.35
EGFR P00533 1/20 0.35
JAK3 P52333 1/20 0.35
TBXAS1 P24557 2/20 0.34
AKR1C3 P42330 1/20 0.34
GAK O14976 1/20 0.33
MAP3K7 O43318 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL3451569 0.88 RIPK2 (0.43) PTGS2CDK9PTK2EGFRJAK3
SCHEMBL3448178 0.85 PTK2 (0.39) PTGS2CDK2CDK9PTK2CCNT1
SCHEMBL3345820 0.85 PIM2 (0.43) PTGS2CDK2CDK9PTK2CCNT1
SCHEMBL3345818 0.85 PIM2 (0.43) PTGS2CDK2CDK9PTK2CCNT1
SCHEMBL3452877 0.82 CDK2 (0.40) CDK2CDK9EGFR
SCHEMBL3452879 0.82 PTK2 (0.38) PTGS2CDK2CDK9PTK2CCNT1
SCHEMBL3450790 0.78 IDH1 (0.41) EPHX2
SCHEMBL3448898 0.78 SYK (0.37) EPHX2
SCHEMBL3449929 0.73 SYK (0.43) PTK2JAK3
SCHEMBL3344327 0.72 PIM2 (0.40) EGFR

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 PTGS2 355/4885EPHX2 1381/4885CDK2 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.