SCHEMBL4861492

SCHEMBL4861492

COc1ccc(-c2ccc(Cl)c(CCN(CCCCC=O)C(=O)OC(C)(C)C)c2)cc1S(N)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.34
HTR4 Q13639 4/20 0.34
PKM P14618 1/20 0.34
PI4KB Q9UBF8 1/20 0.33
CA12 O43570 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA4 P22748 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL4859879 0.93 PKM (0.36) P2RX4HTR4PKMCA12CA2
SCHEMBL4851708 0.90 PKM (0.39) P2RX4PKMPI4KBCA12CA2
SCHEMBL5576880 0.86
SCHEMBL4861372 0.86 HTT (0.36) HTR4PKMCA12CA2CA9
SCHEMBL4861427 0.84 NPC1 (0.32)
SCHEMBL4851919 0.84 NRP1 (0.30)
SCHEMBL4853310 0.82
SCHEMBL4859704 0.82 PKM (0.41) PKMCA12CA2CA9CA4
SCHEMBL4855052 0.82 ERN1 (0.33)
SCHEMBL4859859 0.82 NPSR1 (0.42) PKM

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 P2RX4 2468/4885HTR4 1426/4885PKM 3404/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 P2RX4 2468/4885HTR4 1426/4885PKM 3404/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE P2RX4 3455/4885HTR4 2227/4885PKM 3713/4885

“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.