SCHEMBL4860602

SCHEMBL4860602

CN(C)S(=O)(=O)c1cc(C(=O)CCCCCl)cc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
PTGS1 P23219 3/20 0.47
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALOX5 P09917 1/20 0.31
GSTO1 P78417 3/20 0.31
LMNA P02545 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
SCHEMBL4859405 0.86 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL4861134 0.85 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL4857154 0.84 PTGS2 (0.47) PTGS2PTGS1ALOX5GSTO1
SCHEMBL4856564 0.82 PTGS2 (0.45) PTGS2PTGS1ALOX5GSTO1LMNA
SCHEMBL5983138 0.81 PTGS1 (0.39) PTGS2PTGS1THRBLMNA
Hydrochloric Acid SCHEMBL4853654 0.80 PTGS1 (0.39) PTGS2PTGS1THRBLMNA
SCHEMBL4852362 0.80 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL5981732 0.79 PTGS1 (0.38) PTGS2PTGS1THRBGSTO1LMNA
SCHEMBL4860657 0.79 PTGS2 (0.41) PTGS2PTGS1
Hydrochloric Acid SCHEMBL4861615 0.78 PTGS1 (0.37) PTGS2PTGS1THRBGSTO1LMNA

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 PTGS2 610/4885PTGS1 211/4885THRA 1992/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PTGS2 610/4885PTGS1 211/4885THRA 1992/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PTGS2 474/4885PTGS1 417/4885THRA 3541/4885

“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.