SCHEMBL14945535

SCHEMBL14945535

C#CCC(N)C(=O)NC1C(CO)OC(n2cnc3c(N(C)C)ncnc32)C1O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 12/20 0.75
ANPEP P15144 10/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
TP53 P04637 2/20 0.71
CYP3A4 P08684 2/20 0.71
LMNA P02545 1/20 0.71
HIF1A Q16665 1/20 0.71
HTT P42858 1/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
PAX8 Q06710 1/20 0.70

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
SCHEMBL14945549 1.00 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945567 1.00 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945540 0.92 NPEPPS (0.73) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945552 0.92 NPEPPS (0.73) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945566 0.92 NPEPPS (0.73) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL17832060 0.90 NPEPPS (0.79) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL29711077 0.89 NPEPPS (0.79) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL17832061 0.89 NPEPPS (0.77) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL17340204 0.89 NPEPPS (0.77) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL17340207 0.88 NPEPPS (0.77) NPEPPSANPEPSMN1; SMN2TP53CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168205-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-16 US disclosed
US-20160168205-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-16 US disclosed
US-9212381-B2 Methods and compositions for labeling polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-15 US disclosed
US-9212381-B2 Methods and compositions for labeling polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-15 US disclosed
US-20130122535-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-05-16 US disclosed
US-20130122535-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-05-16 US 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-20160168205-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES NPEPPS, PSMG3, PSMA6 NPEPPS 1/4885ANPEP 84/4885SMN1; SMN2 899/4885

“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.