SCHEMBL4907100

SCHEMBL4907100

O=C(O)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GPR84 Q9NQS5 1/20 0.53
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
HTR7 P34969 1/20 0.51
NHERF1 O14745 2/20 0.51
PTPN1 P18031 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SRD5A2 P31213 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
NR4A2 P43354 1/20 0.46
PIM1 P11309 1/20 0.45

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
SCHEMBL4904856 0.87 SMN1; SMN2 (0.52) TP53SMN1; SMN2NPSR1GPR84F7
SCHEMBL27853699 0.87 F7 (0.66) KDM4EF7F3HTR7NHERF1
SCHEMBL4907150 0.84 GPR84 (0.63) TP53SMN1; SMN2NPSR1GPR84RAB9A
SCHEMBL14111893 0.83 CDC25B (0.54) KDM4ETP53SMN1; SMN2NPSR1GPR84
SCHEMBL22955669 0.83 F7 (0.71) GPR84F7F3NHERF1RAB9A
SCHEMBL6285541 0.83 NR4A2 (0.58) TP53SMN1; SMN2NPSR1GPR84ALDH1A1
SCHEMBL22634965 0.83 GPR84 (0.65) TP53SMN1; SMN2NPSR1GPR84ALDH1A1
SCHEMBL3279652 0.82 GPR84 (0.79) TP53SMN1; SMN2NPSR1GPR84ALDH1A1
SCHEMBL29988308 0.82 GPR84 (0.79) TP53SMN1; SMN2NPSR1GPR84ALDH1A1
SCHEMBL29952494 0.81 PBRM1 (0.57) KDM4ETP53F7F3HTR7

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 7 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-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-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
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
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
WO-2007117699-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-87877, NSC-117199 AND THEIR ANALOGS UNIVERSITY OF SOUTH FLORIDA (US) 2007-10-18 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-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 3476/4885TP53 227/4885SMN1; SMN2 661/4885

“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.