SCHEMBL4131192

SCHEMBL4131192

CN(Cc1cc(-c2cccnc2F)c(Sc2ccsc2)s1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
AR P10275 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DYRK1A Q13627 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
SCHEMBL4119122 0.88 AR (0.33) ARHDAC3HDAC4HDAC6DYRK1A
SCHEMBL3650563 0.87 CTSD (0.33) CTSDBACE1BACE2
SCHEMBL4125110 0.87 AR (0.32) ARDYRK1A
SCHEMBL3650568 0.86 CTSD (0.32) CTSDBACE1BACE2
SCHEMBL4130796 0.85 MGAM (0.36) ARHDAC3HDAC4HDAC6DYRK1A
SCHEMBL4119012 0.85 LIPG (0.32) DYRK1A
SCHEMBL3799051 0.84 ALDH1A1 (0.35) ARHDAC3HDAC4HDAC6DYRK1A
SCHEMBL3652323 0.84 L3MBTL1 (0.31) HDAC3HDAC4HDAC6DYRK1A
SCHEMBL4132219 0.83 DYRK1A (0.33) ARDYRK1A
SCHEMBL4120659 0.83 EDNRA (0.38) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 CTSD 264/4885BACE1 1566/4885BACE2 1053/4885

“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.