SCHEMBL13628000

SCHEMBL13628000

Cc1cc(Cl)cc2c1N(Cc1ccc(S(C)(=O)=O)cc1)C(=O)/C2=N\O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
PPARG P37231 1/20 0.41
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA12 O43570 6/20 0.39
CA9 Q16790 6/20 0.39
ALDH1A1 P00352 4/20 0.38
ALDH2 P05091 4/20 0.38
ALDH3A1 P30838 4/20 0.38
CA4 P22748 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PPARA Q07869 1/20 0.37
CA7 P43166 1/20 0.36
RORC P51449 1/20 0.36
ADRA1D P25100 1/20 0.35
PARK7 Q99497 1/20 0.35

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
SCHEMBL13627991 0.90 TP53 (0.46) TP53MAPTPPARGCA1CA2
SCHEMBL13627996 0.83 CHRM5 (0.50) TP53MAPTPARK7
SCHEMBL13628001 0.79 CHRM5 (0.40) TP53MAPTPPARGALDH1A1PARK7
SCHEMBL13627998 0.78 ALDH1A1 (0.47) MAPTCA2CA12CA9ALDH1A1
SCHEMBL13627999 0.76 CHRM5 (0.43) TP53MAPTALDH1A1
SCHEMBL13627955 0.75 CA2 (0.55) TP53MAPTCA1CA2CA12
SCHEMBL13628003 0.75 MEN1 (0.46) TP53MAPTALDH1A1ADRA1D
SCHEMBL13627976 0.74 CA1 (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL13627997 0.73 GRIN1 (0.36) TP53MAPTALDH1A1
SCHEMBL13627985 0.73 CHRM5 (0.48) TP53MAPTALDH1A1PARK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 TP53 405/4885MAPT 1666/4885PPARG 2893/4885

“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.