SCHEMBL1839900

SCHEMBL1839900

COc1ccc(C(N)=C(C)C(N)=S)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
PARP10 Q53GL7 2/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
NOS3 P29474 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PTGIR P43119 1/20 0.43
NR1I2 O75469 1/20 0.42

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
SCHEMBL1839897 1.00 CA1 (0.52) CA1CA2PARP10PRSS1PRSS2
SCHEMBL10925317 0.81 CA1 (0.67) CA1CA2PARP10PRSS1PRSS2
SCHEMBL29008518 0.79 CA1 (0.59) CA1CA2PARP10PRSS1PRSS2
SCHEMBL201860 0.77 CA1 (0.61) CA1CA2PARP10PRSS1PRSS2
SCHEMBL10045847 0.74 CES2 (0.56) CA1CA2PARP10PRSS1PRSS2
Acetic Acid SCHEMBL28394298 0.73 CA1 (0.62) CA1CA2PARP10PRSS1PRSS2
SCHEMBL3448365 0.72 CES2 (0.58) CA1CA2PARP10PRSS1PRSS2
SCHEMBL1837474 0.72 CA1 (0.50) CA1CA2PARP10PRSS1PRSS2
SCHEMBL1837473 0.72 CA1 (0.50) CA1CA2PARP10PRSS1PRSS2
SCHEMBL237978 0.71 CES2 (0.52) CA1CA2PARP10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960419-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2011-06-14 US disclosed
EP-2076502-B1 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-05-18 EP disclosed
US-20090182025-A1 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY 2009-07-16 US disclosed
EP-2076502-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-08 EP disclosed
WO-2008103185-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-08-28 WO 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-20090182025-A1 SUBSTITUTED CARBOXAMIDES CNR2, TRPV1, CNR1 CA1 853/4885CA2 64/4885PARP10 1351/4885

“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.