SCHEMBL5313256

SCHEMBL5313256

COc1ccc(C(=O)CCCCN(CCc2ccccc2OC(F)(F)F)C(=O)OC(C)(C)C)cc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33

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 0.93 PKM (0.43) PKMACHETDP1TSHRHTT
SCHEMBL5576909 0.92 PKM (0.43) PKMACHETDP1TSHRHTT
SCHEMBL14513383 0.88 NPSR1 (0.44) PKMROCK2ROCK1
SCHEMBL4861490 0.88 PKM (0.41) PKMACHETDP1
SCHEMBL4861365 0.87 PKM (0.46) PKMACHETDP1HTTPDE4A
SCHEMBL5576790 0.86 DRD2 (0.36)
SCHEMBL14513384 0.84 ALDH1A1 (0.34) TDP1ROCK2
SCHEMBL4859697 0.84 PKM (0.48) PKMACHETDP1TSHRHTT
SCHEMBL5312226 0.83 PTGS1 (0.36)
SCHEMBL5310169 0.83 PTGS1 (0.35)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US 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 (1 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 PKM 2400/4885ACHE 797/4885TDP1 4387/4885

“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.