SCHEMBL2517261

SCHEMBL2517261

COc1cc(-n2nnc(N(S)C(=O)O)c2-c2cccc(C(C)C)c2)c(O)cc1O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
CTSA P10619 7/20 0.35
HSP90AA1 P07900 2/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NR4A2 P43354 1/20 0.32
JAK2 O60674 1/20 0.32
SLC16A3 O15427 2/20 0.31
SLC16A1 P53985 2/20 0.31
MCTS1 Q9ULC4 1/20 0.31
FABP3 P05413 1/20 0.31
CYP2C9 P11712 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL1344291 0.81 NR1I2 (0.41) NR1I2CTSAHSP90AA1RXRARXRB
SCHEMBL1344290 0.78 NR1I2 (0.38) NR1I2CTSARXRARXRBRXRG
SCHEMBL1342900 0.67 SLC16A3 (0.41) RXRARXRBSLC16A3SLC16A1DHODH
SCHEMBL1148817 0.61 ALDH1A1 (0.39) FABP3CYP2C9
SCHEMBL12672108 0.60 HSP90AA1 (0.45) NR1I2HSP90AA1
SCHEMBL1148534 0.58 DHODH (0.41) HSP90AA1HDAC4HDAC8DHODH
SCHEMBL25617468 0.55 RXRA (0.47) CTSARXRARXRBRXRGHDAC4
SCHEMBL13913537 0.55 HDAC4 (0.57) CTSAHDAC4HDAC8CYP2C9
SCHEMBL11974256 0.55 TUBB4A (0.59) HDAC4HDAC8
SCHEMBL2411502 0.55 TSHR (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-8034834-B2 Method for treating proliferative disorders with HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2011-10-11 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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 NR1I2 4063/4885CTSA 1869/4885HSP90AA1 3/4885

“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.