SCHEMBL4858812

SCHEMBL4858812

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.40
WNT3A P56704 3/20 0.40
ACHE P22303 5/20 0.39
BCHE P06276 4/20 0.34
PTGES2 Q9H7Z7 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM1 Q13255 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL4858874 0.95 ACHE (0.38) CTNNB1WNT3AACHEBCHEPTGES2
SCHEMBL5576976 0.94 ACHE (0.39) CTNNB1WNT3AACHEBCHEPTGES2
SCHEMBL4859550 0.92 CTNNB1 (0.38) CTNNB1WNT3AACHEBCHEPTGES2
SCHEMBL13987725 0.91 CTNNB1 (0.41) CTNNB1WNT3AACHEBCHEPTGES2
Hydrochloric Acid SCHEMBL4860416 0.91 CTNNB1 (0.41) CTNNB1WNT3AACHEBCHEPTGES2
SCHEMBL4860428 0.88 CTNNB1 (0.40) CTNNB1WNT3AACHEPTGES2MAPT
SCHEMBL4859632 0.88 CTNNB1 (0.37) CTNNB1WNT3APTGES2MAPTSMN1; SMN2
SCHEMBL5576944 0.87 ACHE (0.39) ACHEBCHEPTGES2CHRM2CHRM1
SCHEMBL4853757 0.87 PTGS1 (0.37) CTNNB1WNT3AACHEBCHEPTGES2
SCHEMBL4862283 0.87 ACHE (0.36) CTNNB1WNT3AACHEBCHECHRM2

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.