SCHEMBL4241968

SCHEMBL4241968

COCN(c1ccc(N)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PSMD14 O00487 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 1/20 0.38
NR3C1 P04150 1/20 0.38
NPC1 O15118 3/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL28547556 0.78 TSHR (0.41) SMN1; SMN2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL7850305 0.77 MMP2 (0.39) SMN1; SMN2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4238752 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPK1TDP1L3MBTL1
SCHEMBL2994448 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPK1TDP1L3MBTL1
SCHEMBL3150048 0.75 CYP3A4 (0.42) SMN1; SMN2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL3146514 0.74 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1NPC1POLB
SCHEMBL3156265 0.74 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16706050 0.72 TDP1 (0.46) ALDH1A1CYP3A4MAPK1TDP1L3MBTL1
SCHEMBL3157775 0.72 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL6318614 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CYP3A4L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 SMN1; SMN2 4838/4885ALDH1A1 3358/4885CYP3A4 3526/4885

“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.