SCHEMBL4850284

SCHEMBL4850284

CC(C)NS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2Cl)C(=O)O)cc2c1OCC2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 14/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ACKR3 P25106 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5982205 0.91 PTGS1 (0.37) NRP1PTGS1PTGS2ACKR3KDM4E
SCHEMBL4888444 0.91 PTGS1 (0.37) NRP1PTGS1PTGS2HTT
SCHEMBL4850330 0.91 PTGS1 (0.35) NRP1PTGS1PTGS2ACKR3
Hydrochloric Acid SCHEMBL4858674 0.91 PTGS1 (0.36) NRP1PTGS1PTGS2ACKR3KDM4E
SCHEMBL4859802 0.89 NPSR1 (0.38) NRP1PTGS1PTGS2KDM4E
SCHEMBL4857388 0.87 PTGS1 (0.37) NRP1PTGS1PTGS2TAAR1
SCHEMBL4858191 0.87 PTGS1 (0.36) NRP1PTGS1PTGS2
SCHEMBL5576954 0.87 PTGS1 (0.34) NRP1PTGS1PTGS2
SCHEMBL5981934 0.87 PTGS1 (0.37) NRP1PTGS1PTGS2KDM4ETAAR1
SCHEMBL5576939 0.86 PTGS1 (0.36) NRP1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 (3 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NRP1 1630/4885PTGS1 211/4885PTGS2 610/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NRP1 1630/4885PTGS1 211/4885PTGS2 610/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NRP1 1895/4885PTGS1 417/4885PTGS2 474/4885

“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.