SCHEMBL3452005

SCHEMBL3452005

COc1cc(Nc2ncc(-c3cccc(C=CC(=O)O)c3)c(S(C)(=O)=O)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
PTK2 Q05397 2/20 0.41
RIPK2 O43353 1/20 0.40
PIM2 Q9P1W9 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
NAMPT P43490 3/20 0.38
AURKA O14965 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL3452002 1.00 THRB (0.46) THRBHTTPTK2RIPK2PIM2
SCHEMBL3448175 0.90 KDM4E (0.42) THRBHTTPTK2RIPK2HDAC3
SCHEMBL3449534 0.88 RIPK2 (0.45) THRBHTTPTK2RIPK2PIM2
SCHEMBL3449538 0.88 RIPK2 (0.45) THRBHTTPTK2RIPK2PIM2
SCHEMBL3448178 0.86 PTK2 (0.39) PTK2RIPK2AURKAMAP4K4ABL1
SCHEMBL3345818 0.84 PIM2 (0.43) THRBHTTPTK2PIM2AURKA
SCHEMBL3345820 0.84 PIM2 (0.43) THRBHTTPTK2PIM2AURKA
SCHEMBL3448777 0.83 THRB (0.39) THRBHTTPTK2RIPK2KDR
SCHEMBL3448776 0.83 THRB (0.39) THRBHTTPTK2RIPK2KDR
SCHEMBL3451251 0.82 THRB (0.40) THRBHTTPTK2RIPK2JAK2

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 THRB 3527/4885HTT 3861/4885PTK2 3971/4885

“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.