SCHEMBL4908838

SCHEMBL4908838

CCN1C(=O)C(=O)c2cc(S(=O)(=O)N(C)C)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARK7 Q99497 1/20 0.57
▸ CASP3 P42574 3/20 0.49
▸ MAOA P21397 3/20 0.49
▸ CASP7 P55210 2/20 0.49
▸ MAOB P27338 2/20 0.47
▸ CA12 O43570 9/20 0.46
▸ CA1 P00915 9/20 0.46
▸ CA2 P00918 9/20 0.46
▸ CA9 Q16790 9/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ RECQL P46063 2/20 0.44

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
SCHEMBL14876490 0.83 CUL4A (0.48) CASP3MAOACASP7MAOBCA12
SCHEMBL4908758 0.82 CA1 (0.70) CASP3CASP7CA12CA1CA2
SCHEMBL19000856 0.82 PARK7 (0.60) PARK7CASP3CASP7CA12CA1
SCHEMBL18954845 0.82 CA1 (0.66) PARK7CA12CA1CA2CA9
SCHEMBL14876095 0.80 CASP3 (0.54) CASP3MAOACASP7MAOBCA12
SCHEMBL4898697 0.80 CASP3 (0.54) CASP3CASP7MAPTCASP1PKM
SCHEMBL29862307 0.74 PARK7 (0.68) PARK7MEN1MAPTKMT2AALDH1A1
SCHEMBL396957 0.74 PARK7 (0.68) PARK7MEN1MAPTKMT2AALDH1A1
SCHEMBL24462116 0.73 PARK7 (0.66) PARK7CASP3CASP7CA12CA1
SCHEMBL22667286 0.73 CUL4A (0.68) PARK7MAPTALDH1A1PKMTDP1

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 6 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
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 PARK7 139/4885CASP3 4633/4885MAOA 4821/4885

“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.

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