SCHEMBL3487963

SCHEMBL3487963

CCCCN1C(=O)C(Nc2ccc3c(c2)CCN(C(=O)NC)C3)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
ATM Q13315 1/20 0.39
JAK2 O60674 2/20 0.37
FLT3 P36888 2/20 0.37
TMPRSS2 O15393 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
NAMPT P43490 3/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACVR1 Q04771 1/20 0.35
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL3488550 0.92 NPC1 (0.38) RAB9ANPC1ATMJAK2FLT3
SCHEMBL3486729 0.92 TMPRSS2 (0.38) RAB9ANPC1ATMJAK2FLT3
SCHEMBL3488135 0.91 ACVR1 (0.42) RAB9ANPC1ATMFLT3TMPRSS2
SCHEMBL3489514 0.87 ESR2 (0.46) RAB9ANPC1JAK2NAMPT
SCHEMBL3486731 0.84 TMPRSS2 (0.38) RAB9ANPC1ATMJAK2FLT3
SCHEMBL4474865 0.80 MTOR (0.42) JAK2ALDH1A1NAMPT
SCHEMBL3487895 0.79 BPTF (0.42) ACVR1
SCHEMBL5613809 0.75 MTOR (0.38) JAK2ALDH1A1NAMPT
SCHEMBL3487448 0.74 CA12 (0.46) RAB9ASMN1; SMN2TP53ALDH1A1THRB
SCHEMBL3487918 0.74 SMN1; SMN2 (0.38) RAB9ANPC1ATMSMN1; SMN2TP53

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 10 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
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO 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
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (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 RAB9A 3263/4885NPC1 98/4885ATM 1184/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 RAB9A 3441/4885NPC1 97/4885ATM 1178/4885

“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.