SCHEMBL4904856

SCHEMBL4904856

O=C(O)c1ccc2[nH]cc(C(=O)c3ccc4ccccc4c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MGAM O43451 3/20 0.46
GAA P10253 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
GPR84 Q9NQS5 1/20 0.46
HTR7 P34969 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PTPN1 P18031 2/20 0.45
NHERF1 O14745 2/20 0.44
CFTR P13569 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL4907100 0.87 KDM4E (0.54) SMN1; SMN2TP53NPSR1GPR84HTR7
SCHEMBL15435589 0.86 GPR84 (0.65) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL22955527 0.85 F7 (0.58) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL4907106 0.85 GPR84 (0.58) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL14111893 0.83 CDC25B (0.54) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL27853699 0.81 F7 (0.66) GAAHTR7F7F3PTPN1
SCHEMBL22634965 0.77 GPR84 (0.65) SMN1; SMN2MAPK1TP53NPSR1GPR84
Beta-Naphtoic Acid SCHEMBL30678322 0.75 CES2 (0.71) SMN1; SMN2MEN1MAPTMAPK1KMT2A
Beta-Naphtoic Acid SCHEMBL30678321 0.75 CES2 (0.71) SMN1; SMN2MEN1MAPTMAPK1KMT2A
Beta-Naphtoic Acid SCHEMBL98296 0.75 CES2 (0.71) SMN1; SMN2MEN1MAPTMAPK1KMT2A

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 3 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
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 SMN1; SMN2 661/4885MEN1 1753/4885MAPT 4753/4885

“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.