SCHEMBL4859632

SCHEMBL4859632

NS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2Cl)C(=O)O)cc2c1OCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.37
WNT3A P56704 6/20 0.37
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA7 P43166 5/20 0.35
CA13 Q8N1Q1 5/20 0.35
CA12 O43570 4/20 0.35
CA3 P07451 4/20 0.35
CA4 P22748 4/20 0.35
CA6 P23280 4/20 0.35
CA5A P35218 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CA5B Q9Y2D0 4/20 0.35
GRM1 Q13255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 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
SCHEMBL4858191 0.95 PTGS1 (0.36) CA1CA2CA7CA13CA12
SCHEMBL5576939 0.94 PTGS1 (0.36) CA1CA2CA7CA13CA12
SCHEMBL4853308 0.90 PTGS1 (0.33) CTNNB1WNT3ACA1CA2CA7
Hydrochloric Acid SCHEMBL4860480 0.89 CA12 (0.35) CTNNB1WNT3ACA1CA2CA7
SCHEMBL4858812 0.88 CTNNB1 (0.40) CTNNB1WNT3AGRM1PTGS1PTGS2
SCHEMBL4861300 0.87 NPC1 (0.41) CTNNB1WNT3ACA1CA2CA7
SCHEMBL5577163 0.86 CA1 (0.37) CA1CA2CA7CA13CA12
SCHEMBL4857388 0.85 PTGS1 (0.37) ALDH1A1RAB9APTGS1PTGS2LMNA
SCHEMBL13987720 0.85 CA12 (0.36) CTNNB1WNT3ACA1CA2CA7
SCHEMBL4851911 0.85 PTGS1 (0.38) CA1CA2CA7CA13CA12

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 3076/4885CA1 722/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CTNNB1 2598/4885WNT3A 3076/4885CA1 722/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CTNNB1 4153/4885WNT3A 4058/4885CA1 665/4885

“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.