SCHEMBL2179405

SCHEMBL2179405

Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.58
PTPN1 P18031 2/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
EDNRB P24530 1/20 0.50
EDNRA P25101 1/20 0.50
CA1 P00915 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL2177779 0.81 LMNA (0.62) KMT2AMEN1ALDH1A1CA12CA2
SCHEMBL14921838 0.81 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1CA12CA2
SCHEMBL2197662 0.79 ALDH1A1 (0.68) PTPN1KMT2AMEN1ALDH1A1HPGD
SCHEMBL3254971 0.77 MEN1 (0.48) KMOPTPN1KMT2AMEN1ALDH1A1
SCHEMBL6625890 0.77 KMT2A (0.66) KMOPTPN1KMT2AMEN1ALDH1A1
SCHEMBL3257519 0.75 KMO (0.48) KMOPTPN1KMT2AMEN1ALDH1A1
Para-Nitrosulfathiazole SCHEMBL338503 0.74 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1EDNRAPOLB
SCHEMBL3257521 0.74 MEN1 (0.45) KMOPTPN1KMT2AMEN1ALDH1A1
SCHEMBL25383394 0.73 KMT2A (0.63) KMT2AMEN1ALDH1A1HPGDCA12
SCHEMBL14582750 0.73 MEN1 (0.66) PTPN1KMT2AMEN1ALDH1A1HPGD

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-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 US disclosed
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 US disclosed
WO-2011082400-A2 MODULATORS OF IMMUNOINHIBITORY RECEPTOR PD-1, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 WO disclosed
WO-2011082400-A2 MODULATORS OF IMMUNOINHIBITORY RECEPTOR PD-1, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 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-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof CD274, PDCD1LG2, PDCD1 KMO 741/4885PTPN1 75/4885KMT2A 3860/4885

“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.