SCHEMBL5312949

SCHEMBL5312949

COc1ccc(C(=O)CCCCN(CCc2ccccc2OC(F)(F)F)C(=O)O)cc1S(=O)(=O)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALPL P05186 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ACLY P53396 1/20 0.35
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL4852122 0.93 NPSR1 (0.53) NPSR1POLBPKMCYP3A4CYP2C19
SCHEMBL14513383 0.92 NPSR1 (0.44) NPSR1POLBPKMCYP3A4CYP2C19
SCHEMBL5576909 0.88 PKM (0.43) PKMTDP1ALDH1A1
SCHEMBL4856756 0.87 NPSR1 (0.51) NPSR1POLBPKMKDM4EMAPT
SCHEMBL4859853 0.86 NPSR1 (0.48) NPSR1POLBPKMCYP3A4CYP2C19
SCHEMBL5312261 0.86 NPSR1 (0.48) NPSR1POLBPKMCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL5311660 0.85 NPSR1 (0.48) NPSR1POLBPKMCYP3A4CYP2C19
SCHEMBL5576954 0.84 PTGS1 (0.34) NPSR1
SCHEMBL4859966 0.81 NPSR1 (0.46) NPSR1POLBPKMKDM4EMAPT
SCHEMBL5313256 0.80 PKM (0.39) PKMTDP1

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 2 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

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 520/4885POLB 3730/4885PKM 2400/4885

“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.