SCHEMBL4853757

SCHEMBL4853757

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ACHE P22303 7/20 0.36
BCHE P06276 4/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL5313267 0.99 ACHE (0.38) PTGS1PTGS2ACHEBCHEPTGES2
SCHEMBL4859550 0.95 CTNNB1 (0.38) PTGS1PTGS2ACHEBCHEPTGES2
SCHEMBL5312226 0.92 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL4857094 0.92 PTGS1 (0.37) PTGS1PTGS2ACHEBCHECHRM2
SCHEMBL4858874 0.91 ACHE (0.38) PTGS1PTGS2ACHEBCHEPTGES2
SCHEMBL5310169 0.91 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL4851987 0.91 PTGS1 (0.36) PTGS1PTGS2ACHEBCHECHRM2
SCHEMBL5576976 0.91 ACHE (0.39) PTGS1PTGS2ACHEBCHEPTGES2
SCHEMBL4855046 0.90 CTNNB1 (0.39) ACHEBCHEPTGES2CTNNB1WNT3A
SCHEMBL4851911 0.90 PTGS1 (0.38) PTGS1PTGS2CA12CA1CA2

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 9 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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 PTGS1 211/4885PTGS2 610/4885ACHE 1/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PTGS1 211/4885PTGS2 610/4885ACHE 1/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PTGS1 417/4885PTGS2 474/4885ACHE 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.