SCHEMBL3487077

SCHEMBL3487077

CC(C)(C)N1C(=O)C(Nc2ccc(N3CCCCCC3)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 1.00
NR1H3 Q13133 1/20 1.00
NPC1 O15118 5/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
APAF1 O14727 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
KLF5 Q13887 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL3487778 1.00 NR1H2 (1.00) NR1H2NR1H3NPC1MAPTSMN1; SMN2
SCHEMBL3487794 0.99 NR1H2 (0.98) NR1H2NR1H3NPC1MAPTSMN1; SMN2
SCHEMBL3486754 0.90 NR1H2 (0.82) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL3488079 0.83 NR1H2 (0.71) NR1H2NR1H3NPC1MAPTSMN1; SMN2
SCHEMBL3488448 0.81 NR1H2 (0.68) NR1H2NR1H3NPC1MAPTSMN1; SMN2
SCHEMBL3487932 0.79 NR1H2 (0.65) NR1H2NR1H3MAPTSMN1; SMN2RAB9A
SCHEMBL3488864 0.79 NR1H2 (0.65) NR1H2NR1H3NPC1MAPTSMN1; SMN2
SCHEMBL3487298 0.77 NR1H2 (0.62) NR1H2NR1H3NPC1MAPTSMN1; SMN2
SCHEMBL3488247 0.76 NR1H2 (0.62) NR1H2NR1H3NPC1MAPTSMN1; SMN2
SCHEMBL3487254 0.75 NR1H2 (0.60) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1

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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 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 (2 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885NPC1 98/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885NPC1 97/4885

“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.