SCHEMBL4907150

SCHEMBL4907150

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.63
NR4A2 P43354 7/20 0.60
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CREBBP Q92793 1/20 0.55
RAB9A P51151 1/20 0.51
CDK2 P24941 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KIF11 P52732 1/20 0.48
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2810907 0.93 GPR84 (0.60) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL10396334 0.89 NR4A2 (0.67) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL4907106 0.87 GPR84 (0.58) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL27365216 0.86 NR4A2 (0.72) GPR84NR4A2TP53CREBBPRAB9A
SCHEMBL21439506 0.85 TP53 (0.74) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL4907100 0.84 KDM4E (0.54) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL21437803 0.84 NR4A2 (0.67) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL14111892 0.84 GPR84 (0.57) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL3931730 0.83 NR4A2 (0.60) GPR84NR4A2TP53CREBBPRAB9A
SCHEMBL3734053 0.82 NR4A2 (0.58) GPR84NR4A2TP53CREBBPRAB9A

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 GPR84 2379/4885NR4A2 803/4885TP53 227/4885

“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.