SCHEMBL4858874

SCHEMBL4858874

COc1ccccc1CCN(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCC2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BCHE P06276 4/20 0.35
PDE4D Q08499 1/20 0.35
PTGES2 Q9H7Z7 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL5576976 0.99 ACHE (0.39) ACHEPTGS1PTGS2BCHEPDE4D
SCHEMBL4858812 0.95 CTNNB1 (0.40) ACHEPTGS1PTGS2BCHEPDE4D
SCHEMBL4853757 0.91 PTGS1 (0.37) ACHEPTGS1PTGS2BCHEPDE4D
SCHEMBL4862283 0.91 ACHE (0.36) ACHEPTGS1PTGS2BCHEPDE4D
SCHEMBL5982300 0.91 ACHE (0.40) ACHEPTGS1PTGS2BCHEPTGES2
SCHEMBL5313267 0.91 ACHE (0.38) ACHEPTGS1PTGS2BCHEPDE4D
SCHEMBL4857343 0.91 PTGS1 (0.36) ACHEPTGS1PTGS2BCHEPDE4D
Hydrochloric Acid SCHEMBL4859385 0.90 ACHE (0.41) ACHEPTGS1PTGS2BCHEPTGES2
SCHEMBL5576782 0.90 PTGS1 (0.35) PTGS1PTGS2PTGES2
SCHEMBL4860428 0.89 CTNNB1 (0.40) ACHEPTGES2CTNNB1WNT3ALMNA

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 ACHE 1/4885PTGS1 211/4885PTGS2 610/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885PTGS1 211/4885PTGS2 610/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885PTGS1 417/4885PTGS2 474/4885

“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.