SCHEMBL4466726

SCHEMBL4466726

CCCCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccccc2)S1(O)O.CCCCN1C(=O)C(Nc2ccc3sc(C(=O)OCC)c(C)c3c2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
TP53 P04637 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
DHODH Q02127 8/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BTK Q06187 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
SCHEMBL4466722 0.94 MAPT (0.36) MAPTTP53SMN1; SMN2LMNATDP1
SCHEMBL3487199 0.91 DHODH (0.39) TP53LMNADHODHKDM4ETSHR
SCHEMBL3487200 0.84 DHODH (0.40) TP53LMNADHODHTSHRKMT2A
SCHEMBL3489097 0.84 KDM4E (0.41) MAPTSMN1; SMN2TDP1KDM4EMEN1
SCHEMBL3486973 0.83 ADORA2B (0.39) MAPTTP53DHODHKDM4EBTK
SCHEMBL3489093 0.77 KDM4E (0.42) MAPTSMN1; SMN2KDM4EMEN1HTT
SCHEMBL3486976 0.76 ADORA2B (0.40) MAPTTP53LMNADHODH
SCHEMBL4486724 0.69 BTK (0.36) MAPTSMN1; SMN2LMNADHODHKDM4E
SCHEMBL3488025 0.66 ALDH1A1 (0.44) MAPTKDM4EMEN1KMT2A
SCHEMBL4486723 0.65 BTK (0.36) MAPTSMN1; SMN2LMNADHODHKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAPT 1938/4885TP53 4325/4885SMN1; SMN2 4232/4885

“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.