SCHEMBL3451569

SCHEMBL3451569

CCC(=Cc1cccc(-c2cnc(Nc3cccc(S(C)(=O)=O)c3)nc2S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 9/20 0.43
ACVR1 Q04771 4/20 0.43
SYK P43405 1/20 0.41
JAK3 P52333 4/20 0.41
JAK1 P23458 1/20 0.41
NOD2 Q9HC29 5/20 0.40
EGFR P00533 2/20 0.39
JAK2 O60674 2/20 0.39
BTK Q06187 1/20 0.39
AURKA O14965 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 1/20 0.39

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
SCHEMBL3448178 0.88 PTK2 (0.39) RIPK2ACVR1SYKJAK3JAK1
SCHEMBL3452880 0.88 PTGS2 (0.38) JAK3EGFRCDK9PTK2PTGS2
SCHEMBL3449534 0.85 RIPK2 (0.45) RIPK2ACVR1SYKJAK3JAK1
SCHEMBL3449538 0.85 RIPK2 (0.45) RIPK2ACVR1SYKJAK3JAK1
SCHEMBL3449929 0.82 SYK (0.43) RIPK2ACVR1SYKJAK3NOD2
SCHEMBL3451566 0.82 RIPK2 (0.41) RIPK2ACVR1SYKJAK3JAK1
SCHEMBL3451567 0.82 EGFR (0.44) RIPK2ACVR1SYKJAK3JAK1
SCHEMBL3451327 0.82 SYK (0.42) RIPK2ACVR1SYKJAK3JAK1
SCHEMBL3344573 0.76 RIPK2 (0.47) RIPK2ACVR1SYKJAK3JAK1
SCHEMBL3449014 0.74 SYK (0.47) RIPK2ACVR1SYKJAK3JAK1

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 RIPK2 4693/4885ACVR1 4662/4885SYK 804/4885

“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.