SCHEMBL264305

SCHEMBL264305

CCN(C(=O)O)S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
DAO P14920 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTR6 P50406 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 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
SCHEMBL16004831 0.85 NPC1 (0.39) NPC1SMN1; SMN2KMT2ATSHRMEN1
SCHEMBL4098966 0.82 NPC1 (0.38) NPC1SMN1; SMN2KMT2ATSHRMEN1
SCHEMBL16004872 0.75 PSEN1 (0.39) NPC1SMN1; SMN2KMT2ATSHRMEN1
SCHEMBL16004949 0.75 PSEN1 (0.39) NPC1SMN1; SMN2KMT2ATSHRMEN1
SCHEMBL16894083 0.73 NPC1 (0.43) NPC1SMN1; SMN2KMT2ATSHRMEN1
SCHEMBL10592552 0.72 CA12 (0.53) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL16025966 0.72 PSEN1 (0.39) NPC1SMN1; SMN2KMT2ATSHRMEN1
SCHEMBL2253608 0.71 DAGLA (0.45) SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL12780488 0.70 KMT2A (0.51) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL16004781 0.69 PSEN1 (0.44) NPC1SMN1; SMN2KMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 NPC1 2947/4885SMN1; SMN2 4576/4885KMT2A 2966/4885

“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.