SCHEMBL2176844

SCHEMBL2176844

COc1cc(NS(=O)(=O)c2ccc(N)cc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.64
HTR6 P50406 6/20 0.57
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
AURKA O14965 2/20 0.51
CDC7 O00311 1/20 0.51
EEF2K O00418 1/20 0.51
PLK4 O00444 1/20 0.51
DYRK3 O43781 1/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
PHKG2 P15735 1/20 0.51
CDK2 P24941 1/20 0.51
AKT1 P31749 1/20 0.51

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
SCHEMBL7826186 0.84 HTR6 (0.67) CYP2C19HTR6LMNASMN1; SMN2KMT2A
SCHEMBL2177227 0.83 KMT2A (0.55) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL11798939 0.81 LMNA (0.60) CYP2C19HTR6LMNASMN1; SMN2KMT2A
SCHEMBL7824422 0.80 HTR6 (0.61) CYP2C19HTR6LMNASMN1; SMN2ALDH1A1
SCHEMBL7835318 0.79 HTR6 (0.72) CYP2C19HTR6LMNASMN1; SMN2KMT2A
Sulfamonomethoxine SCHEMBL93784 0.78 CYP2C19 (1.00) CYP2C19HTR6LMNASMN1; SMN2KMT2A
SCHEMBL1136475 0.78 HTR6 (0.52) CYP2C19HTR6LMNASMN1; SMN2KMT2A
Sulfamonomethoxine SCHEMBL29362359 0.78 CYP2C19 (1.00) CYP2C19HTR6LMNASMN1; SMN2KMT2A
SCHEMBL2176380 0.78 MAPT (0.68) CYP2C19HTR6LMNASMN1; SMN2KMT2A
Sulfamonomethoxine SCHEMBL11052075 0.77 CYP2C19 (0.97) CYP2C19HTR6LMNASMN1; SMN2KMT2A

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 CYP2C19 2798/4885HTR6 1173/4885LMNA 4797/4885

“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.