SCHEMBL4135014

SCHEMBL4135014

Cn1ccnc1S(=O)(=O)c1sc(CCNC(=O)O)cc1-c1cccnc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.35
LIPG Q9Y5X9 5/20 0.33
LIPC P11150 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
MCL1 Q07820 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
C1S P09871 1/20 0.32
AGTR2 P50052 6/20 0.32
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
CHRM4 P08173 1/20 0.31
KCNA5 P22460 1/20 0.31
NAMPT P43490 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
SCHEMBL4125903 0.84 NAMPT (0.38) LIPGLIPCPIP4K2APIP4K2CNAMPT
SCHEMBL4135007 0.84 C1S (0.33) LIPGLIPCKAT5KAT8MCL1
SCHEMBL4117665 0.82 LIPG (0.34) LIPGLIPCPIP4K2APIP4K2CNAMPT
Hydrochloric Acid SCHEMBL3697191 0.82 CYP2A6 (0.37) LIPGKAT5KAT8MCL1C1S
SCHEMBL4127371 0.82 MAOA (0.35) LIPGLIPCNAMPT
SCHEMBL4142130 0.81 LIPG (0.34) LIPGLIPCC1SPIP4K2APIP4K2C
SCHEMBL4125700 0.81 ALDH1A1 (0.38) NAMPT
SCHEMBL4125605 0.81 LIPG (0.33) ADAM17LIPGLIPCPIP4K2APIP4K2C
SCHEMBL4125945 0.80 LIPG (0.33) LIPGLIPCPIP4K2APIP4K2C
SCHEMBL4136589 0.80 LIPG (0.33) LIPGLIPCPIP4K2APIP4K2C

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 ADAM17 1627/4885LIPG 2467/4885LIPC 83/4885

“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.