SCHEMBL4861365

SCHEMBL4861365

COc1ccc(C(=O)CCCCN(CCc2ccccc2)C(=O)OC(C)(C)C)cc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
HTT P42858 2/20 0.42
PDE4D Q08499 3/20 0.41
LPAR1 Q92633 2/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.91 PKM (0.43) PKMHTTPDE4DPDE4APDE4B
SCHEMBL4862327 0.90 PKM (0.50) PKMHTTPDE4DLPAR1PDE4A
SCHEMBL4861490 0.89 PKM (0.41) PKMTDP1ACHE
SCHEMBL5313256 0.87 PKM (0.39) PKMHTTPDE4DPDE4APDE4B
SCHEMBL4855030 0.85 KMT2A (0.42) HTTPDE4DLPAR1PDE4APDE4B
SCHEMBL4851734 0.84 KMT2A (0.41) HTTPDE4DLPAR1PDE4APDE4B
SCHEMBL4859697 0.83 PKM (0.48) PKMHTTALDH1A1TDP1ACHE
SCHEMBL4862735 0.81 SMN1; SMN2 (0.46) LMNAL3MBTL1ALDH1A1TDP1CA12
SCHEMBL4851706 0.80 PKM (0.46) PKMHTTKMT2AALDH1A1TDP1
SCHEMBL5576909 0.79 PKM (0.43) PKMHTTPDE4DPDE4APDE4B

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 3404/4885HTT 3012/4885PDE4D 195/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PKM 3404/4885HTT 3012/4885PDE4D 195/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PKM 3713/4885HTT 2558/4885PDE4D 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.