SCHEMBL3449457

SCHEMBL3449457

COc1cc(Nc2ncc(-c3cncc(C(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGS2 P35354 2/20 0.35
SYK P43405 7/20 0.35
AXL P30530 1/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 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
SCHEMBL3372935 0.93 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3447421 0.92 SYK (0.39) HDAC3HDAC1HDAC2HDAC6PTGS2
SCHEMBL3449599 0.91 SYK (0.41) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3450343 0.90 SYK (0.41) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3451697 0.90 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3447204 0.90 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL13311993 0.88 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3450553 0.88 SYK (0.43) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3450608 0.87 SYK (0.42) HDAC3HDAC1HDAC2HDAC6PTGS2
SCHEMBL3448872 0.87 SYK (0.44) SYK

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 3 patents. 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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
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 HDAC3 1200/4885HDAC1 1109/4885HDAC2 1655/4885

“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.