SCHEMBL4904403

SCHEMBL4904403

COC(=O)c1ccc2c(c1)C(Br)(Br)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AURKA O14965 1/20 0.43
RAF1 P04049 1/20 0.43
ALOX5 P09917 1/20 0.43
KIF11 P52732 1/20 0.42
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL29041890 0.83 PGR (0.51) IP6K1ALDH1A1LMNAMAPTCA12
SCHEMBL30459975 0.83 PGR (0.51) IP6K1ALDH1A1LMNAMAPTCA12
SCHEMBL12548325 0.77 IP6K1 (0.57) IP6K1ALDH1A1LMNA
SCHEMBL22711811 0.76 IP6K1 (0.56) IP6K1ALDH1A1LMNAMAPTHPGD
SCHEMBL12548174 0.76 IP6K1 (0.56) IP6K1ALDH1A1LMNA
SCHEMBL3478652 0.75 MAPK1 (0.52) IP6K1ALDH1A1LMNAMAPTCA12
Hydrochloric Acid SCHEMBL1949327 0.75 IP6K1 (0.55) IP6K1ALDH1A1LMNA
SCHEMBL30681107 0.74 IP6K1 (0.62) IP6K1
SCHEMBL29930681 0.74 IP6K1 (0.62) IP6K1
SCHEMBL29825095 0.74 MAPK14 (0.53) ALDH1A1LMNAMAPTCA12CA1

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 9 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
WO-2009135000-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-117199 AND ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2009-11-05 WO 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
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 IP6K1 582/4885ALDH1A1 3859/4885LMNA 4809/4885

“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.