SCHEMBL8237882

SCHEMBL8237882

CCCS(=O)(=O)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 2/20 0.52
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.47
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL8391325 0.98 CA1 (0.48) CA1CA12CA7CA14CA2
SCHEMBL1679032 0.89 PSEN1 (0.46) CA1CA12CA7CA14PSEN1
SCHEMBL3036070 0.88 CA1 (0.48) CA1CA12CA7CA14CA2
SCHEMBL24688471 0.86 PSEN1 (0.46) CA1CA12CA7CA14CA2
SCHEMBL27664375 0.85 CA12 (0.45) CA1CA12CA7CA14EPHX1
SCHEMBL4559183 0.85 CA12 (0.45) CA1CA12CA7CA14EPHX1
SCHEMBL8397078 0.85 CA12 (0.58) CA1CA12CA7CA14CA2
SCHEMBL22252444 0.84 CA1 (0.43) CA1CA12CA7CA14CA2
SCHEMBL21210710 0.82 EPHX1 (0.42) CA1CA12CA7CA14EPHX1
SCHEMBL24043970 0.82 CA12 (0.54) CA1CA12CA7CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO 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-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 CA1 1444/4885CA12 817/4885CA7 1016/4885

“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.