SCHEMBL21765672

SCHEMBL21765672

CN(c1ccc(N(C)S(=O)(=O)CBr)cc1)S(=O)(=O)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KIF11 P52732 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1I2 O75469 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL21765905 0.80 MAPT (0.45) MAPTMCOLN3KIF11CA12CA1
SCHEMBL10192055 0.73 MAPT (0.59) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL23518449 0.73 MCOLN3 (0.39) MAPTMCOLN3KIF11CA12CA1
SCHEMBL6295458 0.71 ESR1 (0.50) MAPTMCOLN3ALDH1A1ALOX15L3MBTL1
SCHEMBL14234293 0.71 FFAR1 (0.45) MAPTMCOLN3HSD17B10L3MBTL1TSHR
SCHEMBL9467431 0.71 APP (0.39) MAPTMCOLN3CA1CA2KDM4E
SCHEMBL14234071 0.71 ALDH1A1 (0.50) MAPTMCOLN3CA12CA1CA2
SCHEMBL9464684 0.70 SMN1; SMN2 (0.43) MAPTMCOLN3ALDH1A1HSD17B10L3MBTL1
SCHEMBL10192209 0.70 MAPT (0.55) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL13762630 0.70 CA12 (0.50) MAPTMCOLN3CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 US disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 MAPT 3926/4885MCOLN3 2955/4885KIF11 3254/4885

“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.