SCHEMBL963164

SCHEMBL963164

CCCC(CCC)NS(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.40
CA1 P00915 13/20 0.40
CA14 Q9ULX7 5/20 0.40
CA7 P43166 4/20 0.40
CA12 O43570 3/20 0.40
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 1/20 0.32
TP53 P04637 1/20 0.31
PPARA Q07869 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
SCHEMBL292582 0.91 CA2 (0.38) CA2CA1CA14CA7CA12
SCHEMBL291739 0.79 CA1 (0.37) CA2CA1CA12CA9
SCHEMBL291951 0.78 SMN1; SMN2 (0.48) CA2CA1CA14CA7CA12
SCHEMBL14204950 0.77 SMN1; SMN2 (0.34) CA2CA1CA14CA7CA12
SCHEMBL11395178 0.75 TP53 (0.35) CA2CA1CA14CA7CA12
SCHEMBL26723165 0.73 ACACB (0.33) CA2CA1CA14CA7CA12
SCHEMBL8597495 0.72 CHRM1 (0.41) CA2CA1CA14CA7CA12
SCHEMBL1780275 0.70 SMN1; SMN2 (0.33) CA2CA1CA14CA7CA12
SCHEMBL22299735 0.70 CA2 (0.33) CA2CA1CA14CA7CA12
SCHEMBL291881 0.70 CA2 (0.45) CA2CA1CA12TAS1R3TAS1R1

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
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CA2 466/4885CA1 1123/4885CA14 913/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CA2 3200/4885CA1 4432/4885CA14 4664/4885

“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.