SCHEMBL2177227

SCHEMBL2177227

COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CA1 P00915 1/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
POLB P06746 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2176844 0.83 CYP2C19 (0.64) KMT2AMEN1CA2MAPTALDH1A1
SCHEMBL2178212 0.80 KMT2A (0.65) KMT2AMEN1CA2CA12CA9
SCHEMBL2179378 0.77 ALDH1A1 (0.61) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL2240850 0.76 CYP19A1 (0.65) KMT2AMEN1CA2CA12CA9
SCHEMBL410787 0.75 LMNA (0.68) KMT2AMEN1CA2CA12CA9
SCHEMBL27752203 0.75 KMT2A (0.72) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL6343830 0.75 MEN1 (0.67) KMT2AMEN1CA2CA12CA9
SCHEMBL28796775 0.75 CA2 (0.57) KMT2AMEN1CA2CA12CA9
SCHEMBL30488448 0.75 CA2 (0.57) KMT2AMEN1CA2CA12CA9
SCHEMBL2243550 0.74 CA2 (0.68) KMT2AMEN1CA2CA12CA9

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 KMT2A 3860/4885MEN1 4011/4885CA2 4844/4885

“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.