SCHEMBL5576944

SCHEMBL5576944

COc1ccccc1CCN(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.39
PKM P14618 1/20 0.36
BCHE P06276 4/20 0.36
PTGES2 Q9H7Z7 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
AOC3 Q16853 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5329226 0.91 ACHE (0.37) ACHEPKMBCHEPTGES2CHRM2
SCHEMBL5335228 0.90 DRD2 (0.35)
SCHEMBL5577163 0.87 CA1 (0.37) PTGES2CA12CA1CA2CA5A
SCHEMBL4858812 0.87 CTNNB1 (0.40) ACHEPKMBCHEPTGES2CHRM2
SCHEMBL4859697 0.87 PKM (0.48) ACHEPKMBCHEPTGES2HTT
SCHEMBL4858874 0.85 ACHE (0.38) ACHEPKMBCHEPTGES2CHRM2
SCHEMBL14513390 0.85 SLC2A1 (0.46) ACHEBCHEPTGES2CHRM2SMN1; SMN2
SCHEMBL5576976 0.85 ACHE (0.39) ACHEBCHEPTGES2CHRM2CHRM1
Hydrochloric Acid SCHEMBL5330503 0.84 SLC2A1 (0.46) ACHEBCHEPTGES2CHRM2CHRM1
SCHEMBL5576790 0.83 DRD2 (0.36) CA14

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 ACHE 797/4885PKM 2400/4885BCHE 1297/4885

“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.