SCHEMBL4862331

SCHEMBL4862331

COc1ccc(-c2cccc(CCN(CCCCC=O)C(=O)O)c2)cc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
PKM P14618 1/20 0.39
PDE4D Q08499 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
LPAR1 Q92633 1/20 0.35
BRD4 O60885 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL4861372 0.90 HTT (0.36) HTTPKMPDE4DPDE4APDE4B
SCHEMBL4859704 0.88 PKM (0.41) HTTPKMGAAMAPTBRD4
SCHEMBL4851708 0.85 PKM (0.39) HTTPKMGAAMAPTBRD4
SCHEMBL4855170 0.84 ACLY (0.42) ALDH1A1BRD4
SCHEMBL4851986 0.80 ALDH1A1 (0.32) HTTALDH1A1MAPTCA12CA1
SCHEMBL4859879 0.78 PKM (0.36) HTTPKMGAABRD4CA12
SCHEMBL4860434 0.76 ERN1 (0.34) PKMALDH1A1GAACA12CA2
SCHEMBL4858878 0.76 ERN1 (0.34) PKMCA2CA9
SCHEMBL4852124 0.76 NPSR1 (0.47) PKMITGB3ITGAVALDH1A1MAPT
SCHEMBL4862327 0.76 PKM (0.50) HTTPKMPDE4DPDE4APDE4B

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 5 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-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
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 (2 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 HTT 3012/4885PKM 3404/4885PDE4D 195/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HTT 2558/4885PKM 3713/4885PDE4D 381/4885

“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.