SCHEMBL4908587

SCHEMBL4908587

COCCNC(=O)c1ccccc1NN=C1C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 4/20 0.43
GAA P10253 2/20 0.43
PTPN11 Q06124 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
MAPK1 P28482 3/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BDKRB1 P46663 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4908586 1.00 KDM4E (0.43) KDM4EHSD17B10GAAPTPN11POLB
SCHEMBL4908777 0.90 CDK2 (0.39) KDM4EHSD17B10PTPN11POLBALDH1A1
SCHEMBL4908785 0.90 CDK2 (0.39) KDM4EHSD17B10PTPN11POLBALDH1A1
SCHEMBL4909387 0.89 ALDH1A1 (0.39) KDM4EHSD17B10PTPN11ALDH1A1HPGD
SCHEMBL4909381 0.89 ALDH1A1 (0.39) KDM4EHSD17B10PTPN11ALDH1A1HPGD
SCHEMBL4906515 0.87 KDM4E (0.43) KDM4EHSD17B10PTPN11ALDH1A1HPGD
SCHEMBL4906517 0.87 KDM4E (0.43) KDM4EHSD17B10PTPN11ALDH1A1HPGD
SCHEMBL4903841 0.87 CDK2 (0.40) PTPN11POLBALDH1A1MAPTLMNA
SCHEMBL4903838 0.87 CDK2 (0.40) PTPN11POLBALDH1A1MAPTLMNA
SCHEMBL4903823 0.86 PTPN11 (0.43) KDM4EHSD17B10GAAPTPN11POLB

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-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 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-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer PTPN7, PTPN1, PTPN2 KDM4E 3476/4885HSD17B10 2415/4885GAA 1584/4885

“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.