SCHEMBL3486901

SCHEMBL3486901

CCCCN1C(=O)C(Nc2ccc3oc(C(=O)O)cc3c2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPK1 P28482 1/20 0.38
PIM1 P11309 4/20 0.37
PIM2 Q9P1W9 3/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
P2RX3 P56373 1/20 0.36
SYK P43405 1/20 0.35
HDAC3 O15379 1/20 0.35
PTGER4 P35408 1/20 0.35
PTPN22 Q9Y2R2 2/20 0.35
TBXAS1 P24557 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3486895 0.92 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AMAPK1PIM1
SCHEMBL3486988 0.91 SYK (0.43) SMN1; SMN2NPC1RAB9AMAPK1LMNA
SCHEMBL3488389 0.89 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL3487918 0.85 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL3486990 0.83 SYK (0.44) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL3487865 0.82 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL3488388 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL3488025 0.76 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3487497 0.75 CA12 (0.40) MEN1KMT2A
SCHEMBL4478931 0.74 ASAH1 (0.35) SMN1; SMN2NPC1RAB9AMAPK1LMNA

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 8 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
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 SMN1; SMN2 4234/4885NPC1 98/4885RAB9A 3263/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 SMN1; SMN2 4232/4885NPC1 97/4885RAB9A 3441/4885

“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.