SCHEMBL5576878

SCHEMBL5576878

CC(C)(C)OC(=O)N(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)CCc1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
P2RX4 Q99571 12/20 0.33
METAP2 P50579 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
STAT3 P40763 1/20 0.32
THRA P10827 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
SCHEMBL5329226 0.90 ACHE (0.37) CA12CA1CA2CA5ACA9
SCHEMBL5577163 0.89 CA1 (0.37) CA12CA1CA2CA3CA4
SCHEMBL4853308 0.88 PTGS1 (0.33) CA12CA1CA2CA3CA4
SCHEMBL5576790 0.88 DRD2 (0.36) CA14METAP2
SCHEMBL4851911 0.86 PTGS1 (0.38) CA12CA1CA2CA3CA4
SCHEMBL14513380 0.85 PTGS1 (0.37) CA12CA1CA2CA3CA4
SCHEMBL4861490 0.84 PKM (0.41) P2RX4
SCHEMBL13987153 0.84 MAPT (0.31) CA12CA1CA2CA3CA4
SCHEMBL4861424 0.82 NPC1 (0.38) CA1CA2CA7CA13P2RX4
SCHEMBL4861603 0.81 NPC1 (0.47) NPC1

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 4 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
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 CA12 1140/4885CA1 1034/4885CA2 564/4885

“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.