SCHEMBL3243568

SCHEMBL3243568

CC(C)COc1cccc(/C(=N/[S+]([O-])C(C)(C)C)c2cccnc2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
USP2 O75604 2/20 0.36
TSHR P16473 2/20 0.36
KAT6A Q92794 2/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
SLC16A3 O15427 3/20 0.33
SLC16A1 P53985 3/20 0.33
PTGES O14684 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
TEK Q02763 1/20 0.33
KMT2A Q03164 2/20 0.33
MCTS1 Q9ULC4 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
SCHEMBL3243574 1.00 BRAF (0.38) BRAFUSP2TSHRKAT6AMAPT
SCHEMBL3243570 1.00 BRAF (0.38) BRAFUSP2TSHRKAT6AMAPT
SCHEMBL7922669 1.00 BRAF (0.38) BRAFUSP2TSHRKAT6AMAPT
SCHEMBL7921168 0.87 ALDH1A1 (0.38) MAPTALDH1A1HTTHPGDKMT2A
SCHEMBL3240648 0.87 ALDH1A1 (0.38) MAPTALDH1A1HTTHPGDKMT2A
SCHEMBL3240641 0.87 ALDH1A1 (0.38) MAPTALDH1A1HTTHPGDKMT2A
SCHEMBL3240637 0.87 ALDH1A1 (0.38) MAPTALDH1A1HTTHPGDKMT2A
SCHEMBL3243779 0.87 MEN1 (0.32) KMT2AMEN1LMNA
SCHEMBL3247087 0.87 MEN1 (0.32) KMT2AMEN1LMNA
SCHEMBL7914680 0.87 MEN1 (0.32) KMT2AMEN1LMNA

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-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BRAF 4425/4885USP2 3685/4885TSHR 4683/4885

“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.