SCHEMBL4859405

SCHEMBL4859405

O=C(CCCCCl)c1cc2c(c(S(=O)(=O)Cl)c1)OCC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
PTGS1 P23219 3/20 0.48
PARP1 P09874 1/20 0.32
CTNNB1 P35222 2/20 0.31
WNT3A P56704 2/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL4852362 0.93 PTGS2 (0.42) PTGS2PTGS1CTNNB1WNT3A
SCHEMBL4861134 0.89 PTGS2 (0.47) PTGS2PTGS1PARP1CTNNB1WNT3A
SCHEMBL4860602 0.86 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL4857154 0.86 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL5308756 0.84 PTGS2 (0.47) PTGS2PTGS1CTNNB1WNT3AALOX5
SCHEMBL4856564 0.83 PTGS2 (0.45) PTGS2PTGS1ALOX5
SCHEMBL4860657 0.82 PTGS2 (0.41) PTGS2PTGS1CTNNB1WNT3A
SCHEMBL5312945 0.81 PTGS2 (0.48) PTGS2PTGS1PARP1CTNNB1WNT3A
SCHEMBL4853042 0.81 PTGS2 (0.35) PTGS2PTGS1ALOX5
SCHEMBL5307876 0.79 PTGS2 (0.45) PTGS2PTGS1ALOX5

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-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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN 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 PTGS2 610/4885PTGS1 211/4885PARP1 2804/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PTGS2 610/4885PTGS1 211/4885PARP1 2804/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PTGS2 474/4885PTGS1 417/4885PARP1 3661/4885

“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.