SCHEMBL20763599

SCHEMBL20763599

CC(C)(C)CCC(N)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
ALOX5 P09917 1/20 0.37
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CACNA2D1 P54289 3/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL28340083 0.85 IDO1 (0.35) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL20993286 0.83 ALOX5 (0.38) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL18822219 0.81 ALOX5 (0.39) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL27927027 0.80 ALOX5 (0.41) RIPK1ALOX5IDO1TDO2CHRNB2
SCHEMBL13591893 0.79 ALOX5 (0.41) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL13536755 0.77 ALOX5 (0.39) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL28296415 0.76 HTR2A (0.40) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL27927012 0.76 ALOX5 (0.39) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL3465616 0.76
SCHEMBL3465286 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2019-02-21 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-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME PTMS, ANPEP, DNPEP RIPK1 3799/4885ALOX5 4328/4885IDO1 3544/4885

“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.