SCHEMBL5310504

SCHEMBL5310504

NS(=O)(=O)c1cc(C(=O)CCCCCl)cc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
TTR P02766 1/20 0.36
CA2 P00918 8/20 0.36
CA1 P00915 6/20 0.36
CA12 O43570 4/20 0.36
CA7 P43166 4/20 0.36
CA6 P23280 3/20 0.36
CA9 Q16790 3/20 0.36
CA13 Q8N1Q1 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 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
SCHEMBL5328513 0.86 NPC1 (0.35) NPC1RAB9ATTRCA2CA1
SCHEMBL5311322 0.84 NLRP3 (0.34) NPC1TTRCA2KMT2ANLRP3
SCHEMBL4860657 0.81 PTGS2 (0.41) NPC1RAB9ATTRCA2CA1
SCHEMBL4861134 0.78 PTGS2 (0.47) NPC1RAB9ACA2CA1CA12
SCHEMBL14513391 0.77 CA1 (0.38) NPC1RAB9ACA2CA1CA12
Hydrochloric Acid SCHEMBL5360907 0.76 CA1 (0.37) NPC1RAB9ACA2CA1CA12
SCHEMBL5577163 0.75 CA1 (0.37) NPC1RAB9ACA2CA1CA12
SCHEMBL4855311 0.74 AKT1 (0.37) CA2DRD2HTR2AHTR2CPTGS1
SCHEMBL5328208 0.73 CA1 (0.35) NPC1RAB9ACA2CA1CA12
SCHEMBL5329435 0.73 P2RX4 (0.35) NPC1RAB9ACA2CA1CA12

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 NPC1 1519/4885RAB9A 2112/4885TTR 2407/4885

“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.