SCHEMBL4859550

SCHEMBL4859550

COc1ccccc1CCN(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCCC2)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
ACHE P22303 7/20 0.37
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
BCHE P06276 4/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 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
SCHEMBL4853757 0.95 PTGS1 (0.37) CTNNB1WNT3AACHEPTGS1PTGS2
SCHEMBL5313267 0.95 ACHE (0.38) CTNNB1WNT3AACHEPTGS1PTGS2
SCHEMBL13987199 0.92 CTNNB1 (0.38) CTNNB1WNT3AACHEPTGS1PTGS2
SCHEMBL4858812 0.92 CTNNB1 (0.40) CTNNB1WNT3AACHEPTGS1PTGS2
SCHEMBL4853308 0.90 PTGS1 (0.33) CTNNB1WNT3APTGS1PTGS2
SCHEMBL13987725 0.89 CTNNB1 (0.41) CTNNB1WNT3AACHEBCHEPTGES2
SCHEMBL4855046 0.89 CTNNB1 (0.39) CTNNB1WNT3AACHEBCHEPTGES2
Hydrochloric Acid SCHEMBL4860416 0.88 CTNNB1 (0.41) CTNNB1WNT3AACHEBCHEPTGES2
SCHEMBL5329226 0.88 ACHE (0.37) ACHEBCHEPTGES2CHRM2CHRM1
SCHEMBL5312226 0.87 PTGS1 (0.36) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (3 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CTNNB1 2598/4885WNT3A 3076/4885ACHE 1/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CTNNB1 2598/4885WNT3A 3076/4885ACHE 1/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CTNNB1 4153/4885WNT3A 4058/4885ACHE 1/4885

“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.