SCHEMBL14111925

SCHEMBL14111925

COc1ccc(CNS(=O)(=O)c2ccc3c(c2)/C(=N/Nc2ccccc2Cl)C(=O)N3)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
ALDH1A1 P00352 5/20 0.46
MGAT2 Q10469 3/20 0.46
CYP19A1 P11511 1/20 0.45
MGAT1 P26572 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL14111927 0.92 TP53 (0.53) SYKALDH1A1MGAT2CYP19A1MGAT1
SCHEMBL14111926 0.90 POLB (0.48) ALDH1A1MGAT2CYP19A1MGAT1CA1
SCHEMBL4907197 0.87 SYK (0.47) SYKALDH1A1MGAT2CYP19A1MGAT1
SCHEMBL4907200 0.87 SYK (0.47) SYKALDH1A1MGAT2CYP19A1MGAT1
SCHEMBL14111941 0.87 MGAT2 (0.46) MGAT2MGAT1LMNAHTTKMT2A
SCHEMBL14111939 0.84 ALDH1A1 (0.48) ALDH1A1MGAT2MGAT1LMNAMAPT
SCHEMBL14111944 0.83 IDO1 (0.48) ALDH1A1MGAT2MGAT1LMNA
SCHEMBL14111931 0.83 MGAT2 (0.52) ALDH1A1MGAT2MGAT1CA1CA2
SCHEMBL14111932 0.82 MGAT2 (0.48) SYKALDH1A1MGAT2MGAT1CA1
SCHEMBL14111928 0.81 MAPK1 (0.46) ALDH1A1MGAT2MGAT1LMNAKMT2A

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 4 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-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

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 SYK 253/4885ALDH1A1 3859/4885MGAT2 4249/4885

“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.