SCHEMBL3487865

SCHEMBL3487865

CCCCN1C(=O)C(Nc2ccc3cc(C(=O)OC(C)(C)C)oc3c2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
CNR2 P34972 1/20 0.34
HDAC3 O15379 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP24A1 Q07973 1/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
NAMPT P43490 1/20 0.32
CTSK P43235 2/20 0.32
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL3488389 0.94 SMN1; SMN2 (0.35) SMN1; SMN2NPC1MAPK1RAB9ACNR2
SCHEMBL3487861 0.93 SMN1; SMN2 (0.35) SMN1; SMN2NPC1MAPK1RAB9ACNR2
SCHEMBL4470498 0.88 CYP24A1 (0.32) CYP24A1MAPT
SCHEMBL3488388 0.86 SMN1; SMN2 (0.35) SMN1; SMN2NPC1MAPK1RAB9ACNR2
SCHEMBL4470496 0.83 CYP24A1 (0.33) SMN1; SMN2CYP24A1MAPTTP53
SCHEMBL3486901 0.82 SMN1; SMN2 (0.38) SMN1; SMN2NPC1MAPK1RAB9AHDAC3
SCHEMBL3486988 0.79 SYK (0.43) SMN1; SMN2NPC1MAPK1RAB9AHDAC3
SCHEMBL3486895 0.74 SMN1; SMN2 (0.38) SMN1; SMN2NPC1MAPK1RAB9AHDAC3
SCHEMBL3487918 0.74 SMN1; SMN2 (0.38) SMN1; SMN2NPC1MAPK1RAB9AHDAC3
SCHEMBL3488025 0.72 ALDH1A1 (0.44) ABCG2MAPTMEN1CASP3KMT2A

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 1 patent. 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 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 SMN1; SMN2 4234/4885NPC1 98/4885MAPK1 983/4885

“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.