SCHEMBL3465405

SCHEMBL3465405

Cn1c(Sc2cc3c(cc2S(C)(=O)=O)OCO3)nc(C(N)=O)c1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.35
RIPK2 O43353 1/20 0.34
POLB P06746 1/20 0.33
HSP90AB1 P08238 8/20 0.33
TGFBR1 P36897 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32

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
SCHEMBL3464730 0.84 HSP90AA1 (0.40) HSP90AA1RIPK2POLBHSP90AB1TGFBR1
SCHEMBL3464443 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL3464733 0.84 HSP90AA1 (0.45) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3465280 0.82 HSP90AA1 (0.38) HSP90AA1RIPK2HSP90AB1
SCHEMBL3465317 0.81 HSP90AA1 (0.43) HSP90AA1RIPK2POLBHSP90AB1HDAC3
SCHEMBL3465443 0.79 HSP90AA1 (0.38) HSP90AA1POLBHSP90AB1HDAC3HDAC4
SCHEMBL3465166 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL3465069 0.73 HSP90AA1 (0.41) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3465224 0.73 HSP90AA1 (0.39) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3463800 0.71 HSP90AA1 (0.44) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US claimed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885RIPK2 2554/4885POLB 3013/4885

“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.