SCHEMBL16615492

SCHEMBL16615492

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.76
▸ MAPT P10636 3/20 0.76
▸ NPSR1 Q6W5P4 2/20 0.76
▸ TSHR P16473 2/20 0.76
▸ GAA P10253 1/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ TP53 P04637 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ KMT2A Q03164 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ LMNA P02545 1/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ CA12 O43570 4/20 0.64
▸ CA9 Q16790 4/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ CA1 P00915 2/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ POLB P06746 1/20 0.63
▸ HPGD P15428 1/20 0.60

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
SCHEMBL17947664 0.90 ALDH1A1 (0.66) ALDH1A1MAPTNPSR1TSHRGAA
SCHEMBL12585053 0.79 CA9 (0.79) ALDH1A1MAPTNPSR1TSHRKMT2A
SCHEMBL17947763 0.78 CA9 (0.90) MAPTNPSR1GAAKMT2AMEN1
SCHEMBL29372795 0.77 CA9 (0.65) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL16615490 0.77 RAB9A (0.61) ALDH1A1MAPTNPSR1TSHRGAA
SCHEMBL6848423 0.76 RAB9A (0.84) ALDH1A1MAPTNPSR1TSHRTP53
SCHEMBL8768779 0.76 RAB9A (0.82) ALDH1A1MAPTNPSR1TP53KMT2A
SCHEMBL108116 0.75 NPC1 (1.00) ALDH1A1MAPTNPSR1TP53KMT2A
SCHEMBL12111900 0.75 RAB9A (0.76) ALDH1A1MAPTNPSR1TSHRTP53
SCHEMBL4727186 0.74 RAB9A (0.81) ALDH1A1MAPTNPSR1MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 — — US disclosed
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 — — US disclosed
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 — — 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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 ALDH1A1 4383/4885MAPT 417/4885NPSR1 3361/4885

“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.

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