SCHEMBL5576782

SCHEMBL5576782

NS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2OC(F)(F)F)C(=O)O)cc2c1OCC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
DRD2 P14416 4/20 0.33
SLC6A3 Q01959 4/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
P2RX4 Q99571 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
NRP1 O14786 1/20 0.30
PTGES O14684 1/20 0.30
SLC6A2 P23975 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL5577134 0.99 PTGS1 (0.35) PTGS1PTGS2DRD2SLC6A3PTGDR2
SCHEMBL5313774 0.93 PTGS1 (0.35) PTGS1PTGS2DRD2SLC6A3P2RX4
SCHEMBL5312226 0.92 PTGS1 (0.36) PTGS1PTGS2DRD2SLC6A3SLC6A2
SCHEMBL5310169 0.91 PTGS1 (0.35) PTGS1PTGS2DRD2SLC6A3SLC6A2
SCHEMBL5314350 0.90 PTGS1 (0.36) PTGS1PTGS2DRD2SLC6A3PTGDR2
SCHEMBL5577155 0.90 SMN1; SMN2 (0.37) DRD2SLC6A3PTGDR2PTGES2SLC6A2
SCHEMBL4858874 0.90 ACHE (0.38) PTGS1PTGS2PTGES2
SCHEMBL5576976 0.89 ACHE (0.39) PTGS1PTGS2PTGES2
SCHEMBL5576954 0.88 PTGS1 (0.34) PTGS1PTGS2DRD2SLC6A3PTGDR2
SCHEMBL5335228 0.86 DRD2 (0.35) DRD2SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS1 344/4885PTGS2 638/4885DRD2 1113/4885

“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.