SCHEMBL16615850

SCHEMBL16615850

CCC(C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.65
ALDH1A1 P00352 2/20 0.64
CRHBP P24387 2/20 0.62
CRHR2 Q13324 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL16615822 0.86 ALDH1A1 (0.66) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA
SCHEMBL16615530 0.85 ALDH1A1 (0.70) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA
SCHEMBL16615516 0.84 SMN1; SMN2 (0.65) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA
SCHEMBL9138268 0.83 ALDH1A1 (0.68) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA
SCHEMBL23611268 0.82 SCN3A (0.64) SCN3AALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL23611270 0.82 SCN3A (0.64) SCN3AALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL16615514 0.82 L3MBTL1 (0.62) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA
SCHEMBL16615489 0.82 LMNA (0.70) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA
SCHEMBL16615791 0.81 ALDH1A1 (0.65) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA
Acetic Acid SCHEMBL27922009 0.81 ALDH1A1 (0.77) ALDH1A1CRHBPCRHR2SMN1; SMN2LMNA

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 SCN3A 2596/4885ALDH1A1 4383/4885CRHBP 2862/4885

“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.