SCHEMBL4851706

SCHEMBL4851706

COc1ccc(C(=O)CCCCN(CCc2ccccc2Cl)C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
P2RX4 Q99571 6/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL4859697 0.92 PKM (0.48) PKMHTTTDP1CA1CA2
SCHEMBL4861490 0.91 PKM (0.41) PKMP2RX4TDP1RAF1MAP2K1
SCHEMBL13987471 0.89 PKM (0.45) PKMP2RX4TDP1CA1CA2
Hydrochloric Acid SCHEMBL4861548 0.88 PKM (0.44) PKMP2RX4TDP1CA1CA2
SCHEMBL4862327 0.88 PKM (0.50) PKMHTTTDP1CA1CA2
SCHEMBL4856756 0.87 NPSR1 (0.51) PKMTDP1RAF1MAP2K1ALDH1A1
SCHEMBL5576909 0.86 PKM (0.43) PKMHTTTDP1ALDH1A1ACHE
SCHEMBL4860212 0.84 MEN1 (0.42) RAF1MAP2K1ALDH1A1MEN1KMT2A
SCHEMBL4857352 0.83 MEN1 (0.42) RAF1MAP2K1ALDH1A1MEN1KMT2A
SCHEMBL13987468 0.83 SLC2A1 (0.46) PKMP2RX4TDP1KMT2A

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 3404/4885P2RX4 2468/4885HTT 3012/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PKM 3404/4885P2RX4 2468/4885HTT 3012/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PKM 3713/4885P2RX4 3455/4885HTT 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.