SCHEMBL4142124

SCHEMBL4142124

Cc1occc1S(=O)(=O)c1sc(CN(C)C(=O)O)cc1-c1cccnc1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.32
EDNRA P25101 8/20 0.32
C1S P09871 1/20 0.32
LIPG Q9Y5X9 2/20 0.31
DHODH Q02127 2/20 0.31
LIPC P11150 1/20 0.31
COMT P21964 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
L3MBTL1 Q9Y468 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 0.84 NAMPT (0.35) LIPGDHODHLIPC
SCHEMBL4142130 0.84 LIPG (0.34) C1SLIPGDHODHLIPCCOMT
SCHEMBL4117741 0.83 LIPG (0.31) LIPGDHODHLIPC
SCHEMBL3649326 0.83 HTR6 (0.39)
SCHEMBL4117657 0.83 GPBAR1 (0.33) LIPGLIPCCOMT
SCHEMBL4127364 0.83 MAOA (0.36) C1SLIPGDHODHLIPC
Hydrochloric Acid SCHEMBL4125820 0.82 CYP2A6 (0.37) C1SCOMTRXFP1L3MBTL1
SCHEMBL3654891 0.81 ATM (0.34) EDNRBEDNRAC1SLIPGLIPC
SCHEMBL4125599 0.81 LIPG (0.33) LIPGLIPC
SCHEMBL3782033 0.81 NAMPT (0.37)

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 EDNRB 4164/4885EDNRA 4381/4885C1S 1997/4885

“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.