SCHEMBL4909971

SCHEMBL4909971

CS(=O)(=O)OCc1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
APP P05067 2/20 0.54
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
ERN1 O75460 3/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL4909976 0.78 CA2 (0.42) CA2CA1CA9APPHSD17B1
SCHEMBL14106986 0.77 AGXT (0.58) CA2PTGS2AGXT
SCHEMBL13766429 0.76 APP (0.62) CA2CA1CA9APPHSD17B1
SCHEMBL4901005 0.76 TP53 (0.60) APPNPC1ALDH1A1TP53MAPT
SCHEMBL32677328 0.75 APP (0.81) CA2CA1CA9APPHSD17B1
SCHEMBL27159530 0.75 APP (0.81) CA2CA1CA9APPHSD17B1
SCHEMBL28357616 0.75 APP (0.69) CA2CA1CA9APPHSD17B1
SCHEMBL26291732 0.74 APP (0.52) CA2CA1CA9APPHSD17B1
SCHEMBL6286312 0.74 IDO1 (0.52) CA2CA1CA9PTGS1TSHR
SCHEMBL19845815 0.74 CA2 (0.52) CA2CA1CA9PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 CA2 3781/4885CA1 1482/4885CA9 2652/4885

“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.