SCHEMBL4861490

SCHEMBL4861490

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
P2RX4 Q99571 10/20 0.38
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL4859871 0.92 PKM (0.43) PKMP2RX4TDP1ACHE
SCHEMBL4851706 0.91 PKM (0.46) PKMP2RX4RAF1MAP2K1TDP1
SCHEMBL4861365 0.89 PKM (0.46) PKMTDP1ACHE
SCHEMBL4859966 0.88 NPSR1 (0.46) PKMRAF1MAP2K1TDP1HDAC8
SCHEMBL5313256 0.88 PKM (0.39) PKMTDP1ACHE
SCHEMBL13987471 0.87 PKM (0.45) PKMP2RX4TDP1ACHEHDAC8
Hydrochloric Acid SCHEMBL4861548 0.86 PKM (0.44) PKMP2RX4TDP1ACHEHDAC8
SCHEMBL4859166 0.86 MAPT (0.39) HDAC8
SCHEMBL4860935 0.85 MAPT (0.39) HDAC8
SCHEMBL5576878 0.84 CA12 (0.35) P2RX4

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 9 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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 2468/4885RAF1 4462/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PKM 3404/4885P2RX4 2468/4885RAF1 4462/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PKM 3713/4885P2RX4 3455/4885RAF1 4748/4885

“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.