SCHEMBL5313774

SCHEMBL5313774

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
DRD2 P14416 3/20 0.33
SLC6A3 Q01959 3/20 0.33
NRP1 O14786 2/20 0.30
P2RX4 Q99571 1/20 0.30
PTGES2 Q9H7Z7 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
SCHEMBL5576782 0.93 PTGS1 (0.35) PTGS1PTGS2DRD2SLC6A3NRP1
SCHEMBL5577134 0.92 PTGS1 (0.35) PTGS1PTGS2DRD2SLC6A3NRP1
SCHEMBL5312226 0.91 PTGS1 (0.36) PTGS1PTGS2DRD2SLC6A3
SCHEMBL5310169 0.90 PTGS1 (0.35) PTGS1PTGS2DRD2SLC6A3
SCHEMBL5307810 0.87 NRP1 (0.32) DRD2SLC6A3NRP1
SCHEMBL5308103 0.85 PTGS1 (0.36) PTGS1PTGS2P2RX4PTGES2
SCHEMBL5307952 0.85 PTGS1 (0.36) PTGS1PTGS2P2RX4PTGES2
Hydrochloric Acid SCHEMBL5310493 0.85 PTGS1 (0.36) PTGS1PTGS2P2RX4PTGES2
Bromide SCHEMBL5576990 0.85 PTGS1 (0.36) PTGS1PTGS2P2RX4PTGES2
Hydrochloric Acid SCHEMBL5311251 0.84 PTGS1 (0.35) PTGS1PTGS2P2RX4PTGES2

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 5 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
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 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.