SCHEMBL4853308

SCHEMBL4853308

CC(C)(C)OC(=O)N(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCCC2)CCc1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CTNNB1 P35222 6/20 0.33
WNT3A P56704 6/20 0.33
P2RX4 Q99571 3/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL4851911 0.95 PTGS1 (0.38) PTGS1PTGS2CA12CA1CA2
SCHEMBL14513380 0.95 PTGS1 (0.37) PTGS1PTGS2CA12CA1CA2
SCHEMBL4859550 0.90 CTNNB1 (0.38) PTGS1PTGS2CTNNB1WNT3A
SCHEMBL4859632 0.90 CTNNB1 (0.37) PTGS1PTGS2CA12CA1CA2
SCHEMBL4861424 0.88 NPC1 (0.38) CA1CA2CA7CA13CTNNB1
SCHEMBL5576878 0.88 CA12 (0.35) CA12CA1CA2CA3CA4
Hydrochloric Acid SCHEMBL4860480 0.87 CA12 (0.35) PTGS1PTGS2CA12CA1CA2
SCHEMBL13987153 0.87 MAPT (0.31) CA12CA1CA2CA3CA4
SCHEMBL4860107 0.87 PTGS1 (0.37) PTGS1PTGS2
SCHEMBL4855552 0.86 PTGS1 (0.37) 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 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 610/4885CA12 2040/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PTGS1 211/4885PTGS2 610/4885CA12 2040/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PTGS1 417/4885PTGS2 474/4885CA12 1238/4885

“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.