SCHEMBL5312261

SCHEMBL5312261

COc1ccc(C(=O)CCCCNCCc2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
SLC2A1 P11166 3/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
BCHE P06276 1/20 0.36
CHRM2 P08172 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ACLY P53396 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
Hydrochloric Acid SCHEMBL5311660 0.99 NPSR1 (0.48) NPSR1SLC2A1MAPTKDM4ECYP3A4
SCHEMBL13987473 0.92 NPSR1 (0.54) NPSR1SLC2A1MAPTKDM4EPOLB
Hydrochloric Acid SCHEMBL4861113 0.92 NPSR1 (0.53) NPSR1SLC2A1MAPTKDM4EPOLB
SCHEMBL5308105 0.88 SLC2A1 (0.43) SLC2A1PKMBCHECHRM2ACHE
Hydrochloric Acid SCHEMBL5315590 0.87 SLC2A1 (0.42) SLC2A1PKMBCHECHRM2ACHE
SCHEMBL13987475 0.86 NPSR1 (0.52) NPSR1SLC2A1MAPTKDM4EPOLB
SCHEMBL5312949 0.86 NPSR1 (0.48) NPSR1MAPTKDM4ECYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4862011 0.86 NPSR1 (0.51) NPSR1SLC2A1MAPTKDM4EPOLB
SCHEMBL14513383 0.84 NPSR1 (0.44) NPSR1MAPTKDM4ECYP3A4CYP2C19
SCHEMBL5308099 0.82 PTGS1 (0.36) NPSR1SLC2A1ROCK2

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 4 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
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 NPSR1 520/4885SLC2A1 390/4885MAPT 4404/4885

“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.