SCHEMBL5577155

SCHEMBL5577155

NS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2OC(F)(F)F)C(=O)O)cc2c1OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
KLF5 Q13887 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CTNNB1 P35222 4/20 0.32
DRD2 P14416 4/20 0.32
SLC6A3 Q01959 4/20 0.32
WNT3A P56704 3/20 0.32
ROCK2 O75116 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.31

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
SCHEMBL14513384 0.92 ALDH1A1 (0.34) SMN1; SMN2L3MBTL1ALDH1A1LMNATP53
SCHEMBL5576782 0.90 PTGS1 (0.35) PTGDR2DRD2SLC6A3PTGES2SLC6A2
SCHEMBL4860428 0.90 CTNNB1 (0.40) SMN1; SMN2L3MBTL1ALDH1A1LMNATP53
SCHEMBL5577134 0.89 PTGS1 (0.35) PTGDR2DRD2SLC6A3PTGES2
SCHEMBL5576935 0.86 PTGDR2 (0.38) SMN1; SMN2L3MBTL1ALDH1A1LMNATP53
SCHEMBL4861300 0.85 NPC1 (0.41) SMN1; SMN2L3MBTL1ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL5576999 0.85 PTGDR2 (0.37) SMN1; SMN2L3MBTL1ALDH1A1LMNATP53
SCHEMBL4851983 0.84 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1ALDH1A1LMNATP53
SCHEMBL5313774 0.83 PTGS1 (0.35) DRD2SLC6A3PTGES2
SCHEMBL4855046 0.83 CTNNB1 (0.39) SMN1; SMN2L3MBTL1ALDH1A1LMNATP53

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-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 SMN1; SMN2 1537/4885L3MBTL1 1737/4885ALDH1A1 212/4885

“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.