SCHEMBL2176380

SCHEMBL2176380

COc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
CYP2C9 P11712 1/20 0.68
LMNA P02545 4/20 0.61
AURKA O14965 1/20 0.61
DHFR P00374 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
CYP2C19 P33261 2/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
HTR6 P50406 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 2/20 0.50
GAA P10253 1/20 0.49
ESR1 P03372 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL38666234 0.86 NPSR1 (0.67) MAPTCYP2C9LMNATSHRSMN1; SMN2
Sulphamoprine SCHEMBL93846 0.84 LMNA (0.67) MAPTCYP2C9LMNAAURKADHFR
Sulphamoprine SCHEMBL28631928 0.83 HTR6 (0.65) MAPTCYP2C9LMNAAURKADHFR
Sulphamoprine SCHEMBL2430283 0.83 HTR6 (0.65) MAPTCYP2C9LMNAAURKADHFR
SCHEMBL2178212 0.83 KMT2A (0.65) MAPTCYP2C9LMNAMEN1KMT2A
Sulfamerazine SCHEMBL29538415 0.81 MAPT (1.00) MAPTCYP2C9LMNAAURKADHFR
Sulfamerazine SCHEMBL33999 0.81 MAPT (1.00) MAPTCYP2C9LMNAAURKADHFR
Sulfamerazine SCHEMBL5871007 0.80 MAPT (0.97) MAPTCYP2C9LMNAAURKADHFR
Sulfamerazine SCHEMBL93591 0.80 MAPT (0.97) MAPTCYP2C9LMNAAURKADHFR
SCHEMBL17592905 0.80 SMN1; SMN2 (0.76) MAPTCYP2C9LMNATSHRSMN1; SMN2

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 MAPT 4352/4885CYP2C9 3503/4885LMNA 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.