SCHEMBL19021224

SCHEMBL19021224

O=C(Nc1cccc2cccc(S(=O)(=O)O)c12)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 5/20 0.92
CD40LG P29965 5/20 0.92
KDR P35968 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
CASP6 P55212 1/20 0.54
PTPN11 Q06124 1/20 0.54
NPC1 O15118 1/20 0.52
MAPT P10636 2/20 0.49
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CASP3 P42574 1/20 0.48
KMT2A Q03164 2/20 0.48
ACHE P22303 1/20 0.47
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.46
TYMS P04818 1/20 0.44
TTR P02766 1/20 0.44
FABP4 P15090 1/20 0.44
CCNA2 P20248 1/20 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
SCHEMBL20590980 0.96 CD40 (1.00) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL19021223 0.91 CD40 (0.87) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL19020655 0.89 CD40 (0.87) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL26885664 0.87 CD40 (0.79) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL11425089 0.85 CD40 (0.72) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL11433131 0.85 CD40 (0.69) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL11511725 0.85 CD40 (0.69) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL11439481 0.84 CD40 (0.68) CD40CD40LGKDRDUSP3PTPN5
SCHEMBL19020654 0.83 CD40 (0.69) CD40CD40LGCASP6NPC1MAPT
SCHEMBL11797457 0.83 NPC1 (0.66) CD40CD40LGKDRDUSP3PTPN5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389781-B1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME UNIV MIAMI (US) 2021-08-11 EP disclosed
US-10562848-B2 Inhibitors of TNF superfamily costimulatory interactions and methods for uses of the same UNIVERSITY OF MIAMI (US) 2020-02-18 US disclosed
US-10562848-B2 Inhibitors of TNF superfamily costimulatory interactions and methods for uses of the same UNIVERSITY OF MIAMI (US) 2020-02-18 US disclosed
US-20180370909-A1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME UNIVERSITY OF MIAMI (US) 2018-12-27 US disclosed
WO-2017106436-A1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME UNIVERSITY OF MIAMI (US) 2017-06-22 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 (2 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-20180370909-A1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME CD40, TNFRSF9, TNFRSF1A CD40 1/4885CD40LG 7/4885KDR 364/4885
US-10562848-B2 Inhibitors of TNF superfamily costimulatory interactions and methods for uses of the same CD40, TNFRSF9, TNFRSF1A CD40 1/4885CD40LG 7/4885KDR 364/4885

“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.