SCHEMBL14288570

SCHEMBL14288570

CC(C)c1cc(-c2n[nH]c(=S)n2Cc2ccc3c(c2)OCO3)c(O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HSP90AA1 P07900 2/20 0.43
LMNA P02545 2/20 0.43
HSP90AB1 P08238 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
ALOX12 P18054 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
GFER P55789 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL3993912 0.82 TSHR (0.49) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL8931341 0.81 KDM4E (0.60) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6746692 0.80 TSHR (0.47) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL1867459 0.77 LMNA (0.46) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL4999342 0.76 KDM4E (0.56) KDM4EMAPTTSHRHSD17B10ALDH1A1
SCHEMBL14288632 0.74 HSP90AA1 (0.54) KDM4EMAPTALDH1A1HSP90AA1LMNA
SCHEMBL3998734 0.74 NPSR1 (0.43) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL6746914 0.74 HSP90AA1 (0.47) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL5005970 0.73 HSP90AB1 (0.62) HSP90AA1HSP90AB1
SCHEMBL5002866 0.73 ALDH1A1 (0.56) KMT2AMEN1KDM4EMAPTTSHR

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-20140363830-A1 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2014-12-11 US disclosed
US-20140363830-A1 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2014-12-11 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
WO-2007139960-A2 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 KMT2A 3445/4885MEN1 4319/4885KDM4E 3500/4885

“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.