SCHEMBL15525680

SCHEMBL15525680

CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCN(C(=O)C4CCN(C(=O)O)CC4)CC3)cc2)c(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.43
HSP90AB1 P08238 7/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
NAMPT P43490 1/20 0.38
TP53 P04637 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL16569195 0.98 HSP90AA1 (0.45) HSP90AA1HSP90AB1TDP1MAPTKMT2A
SCHEMBL30985910 0.92 HSP90AA1 (0.46) HSP90AA1HSP90AB1TDP1MAPTKMT2A
SCHEMBL15525673 0.92 HSP90AB1 (0.49) HSP90AA1HSP90AB1
SCHEMBL28333664 0.90 HSP90AB1 (0.43) HSP90AA1HSP90AB1TDP1MAPTKMT2A
SCHEMBL15525910 0.89 HSP90AA1 (0.44) HSP90AA1HSP90AB1MAPTALDH1A1THRB
SCHEMBL16569533 0.87 HSP90AA1 (0.41) HSP90AA1HSP90AB1TDP1MAPTKMT2A
SCHEMBL15526021 0.85 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL28343526 0.85 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL22541132 0.84 HSP90AA1 (0.50) HSP90AA1HSP90AB1TDP1MAPTKMT2A
SCHEMBL16713229 0.84 HSP90AA1 (0.42) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 US disclosed
EP-3131586-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2017-02-22 EP disclosed
EP-3129064-A2 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2017-02-15 EP disclosed
EP-3035938-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2016-06-29 EP disclosed
WO-2015143004-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-09-24 WO disclosed
WO-2015134464-A2 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-09-11 WO disclosed
US-20150139905-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2015-05-21 US disclosed
WO-2015038649-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-03-19 WO disclosed
EP-2838909-A2 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2015-02-25 EP disclosed
WO-2013158644-A2 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2013-10-24 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-20150139905-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885TDP1 1497/4885

“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.