SCHEMBL4859697

SCHEMBL4859697

COc1ccccc1CCN(CCCCC(=O)c1ccc(OC)c(S(N)(=O)=O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
ACHE P22303 3/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
AOC3 Q16853 1/20 0.38
BCHE P06276 2/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL5576909 0.92 PKM (0.43) PKMACHEHTTTDP1TSHR
SCHEMBL4851706 0.92 PKM (0.46) PKMACHEHTTTDP1ALDH1A1
SCHEMBL4862327 0.90 PKM (0.50) PKMACHEHTTTDP1ALDH1A1
SCHEMBL4859871 0.90 PKM (0.43) PKMACHEHTTTDP1TSHR
SCHEMBL5576944 0.87 ACHE (0.39) PKMACHEHTTTDP1PTGES2
SCHEMBL4852122 0.87 NPSR1 (0.53) PKMACHETDP1TSHRALDH1A1
SCHEMBL4860428 0.84 CTNNB1 (0.40) PKMACHETDP1ALDH1A1PTGES2
SCHEMBL4858874 0.84 ACHE (0.38) PKMACHEALDH1A1PTGES2AOC3
SCHEMBL5313256 0.84 PKM (0.39) PKMACHEHTTTDP1TSHR
SCHEMBL4855322 0.83 ALDH1A1 (0.44) ACHEALDH1A1BCHE

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 PKM 3404/4885ACHE 1/4885HTT 3012/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PKM 3404/4885ACHE 1/4885HTT 3012/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PKM 3713/4885ACHE 1/4885HTT 2558/4885

“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.