SCHEMBL4859704

SCHEMBL4859704

COc1ccc(-c2ccc(OC)c(S(N)(=O)=O)c2)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
HTT P42858 1/20 0.38
CA2 P00918 7/20 0.36
CA9 Q16790 7/20 0.36
CA12 O43570 6/20 0.36
CA4 P22748 1/20 0.36
GAA P10253 1/20 0.35
BRD4 O60885 2/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 3/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL4851708 0.93 PKM (0.39) PKMHTTCA2CA9CA12
SCHEMBL4859879 0.89 PKM (0.36) PKMHTTCA2CA9CA12
SCHEMBL4862331 0.88 HTT (0.42) PKMHTTCA2CA9CA12
SCHEMBL4860434 0.87 ERN1 (0.34) PKMCA2CA9CA12GAA
SCHEMBL4852124 0.87 NPSR1 (0.47) PKMMAPT
SCHEMBL4858878 0.87 ERN1 (0.34) PKMCA2CA9
SCHEMBL4858815 0.85 HSD17B1 (0.34) CA2CA9CA12
SCHEMBL4855325 0.83 BRD4 (0.40) BRD4MAPT
SCHEMBL4861492 0.82 P2RX4 (0.34) PKMCA2CA9CA12CA4
SCHEMBL4861301 0.80 ERN1 (0.46)

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 3404/4885HTT 3012/4885CA2 397/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PKM 3404/4885HTT 3012/4885CA2 397/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PKM 3713/4885HTT 2558/4885CA2 400/4885

“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.