SCHEMBL21566909

SCHEMBL21566909

COc1ccc(COC(C)SC)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
AGXT P21549 2/20 0.50
SLC6A4 P31645 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
APP P05067 5/20 0.44
MAOB P27338 1/20 0.43
CALM1 P0DP23 1/20 0.42
LTA4H P09960 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL2610461 0.80 IDO1 (0.57) IDO1AGXTSLC6A4CA1CA2
SCHEMBL24590336 0.79 TSHR (0.44) IDO1AGXTSLC6A4CA1CA2
SCHEMBL12502485 0.77 IDO1 (0.53) IDO1AGXTSLC6A4CA1CA2
SCHEMBL682849 0.77 IDO1 (0.53) IDO1AGXTSLC6A4CA1CA2
SCHEMBL6525289 0.77 IDO1 (0.53) IDO1AGXTSLC6A4CA1CA2
SCHEMBL7492817 0.77 IDO1 (0.53) IDO1AGXTSLC6A4CA1CA2
SCHEMBL28885907 0.76 IDO1 (0.52) IDO1AGXTSLC6A4CA1CA2
SCHEMBL19725366 0.75 HTT (0.50) IDO1AGXTSLC6A4
SCHEMBL936399 0.75 IDO1 (0.55) IDO1AGXTSLC6A4CA1CA2
SCHEMBL19725384 0.74 IDO1 (0.50) IDO1AGXTSLC6A4CA1CA2

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-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2019-11-14 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 (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-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF CALD1, CALU, STT3A IDO1 4510/4885AGXT 3708/4885SLC6A4 4001/4885

“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.