SCHEMBL4136581

SCHEMBL4136581

CN(Cc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccsc2)s1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
LIPG Q9Y5X9 2/20 0.32
LIPC P11150 1/20 0.31
IDH2 P48735 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PIP4K2A P48426 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30

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
SCHEMBL4125901 0.89 NAMPT (0.35) LIPGLIPCIDH2HDAC3HDAC4
SCHEMBL3652358 0.88 GLS (0.32) CTSDBACE1BACE2GPBAR1
SCHEMBL4117657 0.87 GPBAR1 (0.33) GPBAR1LIPGLIPCIDH2PIP4K2A
SCHEMBL3652364 0.87 GPBAR1 (0.32) CTSDBACE1BACE2GPBAR1
SCHEMBL3649326 0.86 HTR6 (0.39)
SCHEMBL3782033 0.86 NAMPT (0.37) GPBAR1
SCHEMBL4117741 0.84 LIPG (0.31) LIPGLIPCIDH2PIP4K2APIP4K2C
SCHEMBL3773531 0.84 IDH2 (0.34) LIPGLIPCIDH2PIP4K2APIP4K2C
SCHEMBL3654891 0.84 ATM (0.34) LIPGLIPCIDH2
SCHEMBL4125599 0.84 LIPG (0.33) LIPGLIPCIDH2

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.