SCHEMBL2196395

SCHEMBL2196395

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nncs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 1/20 0.54
PDPK1 O15530 1/20 0.54
ABCB11 O95342 1/20 0.54
AKT2 P31751 1/20 0.54
GAB1 Q13480 1/20 0.54
AKT3 Q9Y243 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL9301358 0.85 ALDH1A1 (0.57) AKT1MEN1KMT2ATSHRALDH1A1
SCHEMBL9208171 0.80 AKT1 (0.72) AKT1MEN1KMT2ATSHRPDPK1
SCHEMBL328550 0.80 AKT1 (0.72) AKT1MEN1KMT2ATSHRPDPK1
SCHEMBL282714 0.80 AKT1 (1.00) AKT1MEN1KMT2ATSHRPDPK1
SCHEMBL299526 0.80 AKT1 (0.71) AKT1MEN1KMT2ATSHRPOLB
SCHEMBL10108709 0.78 AKT1 (0.68) AKT1MEN1KMT2ATSHRPDPK1
Para-Nitrosulfathiazole SCHEMBL338503 0.77 ALDH1A1 (0.67) MEN1KMT2APOLBALDH1A1
SCHEMBL14864417 0.75 AKT1 (0.65) AKT1MEN1KMT2ATSHRPDPK1
SCHEMBL2197662 0.75 ALDH1A1 (0.68) AKT1MEN1KMT2APOLBALDH1A1
SCHEMBL14582750 0.75 MEN1 (0.66) MEN1KMT2APOLBALDH1A1HPGD

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 AKT1 1602/4885MEN1 4011/4885KMT2A 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.