SCHEMBL2984751

SCHEMBL2984751

Cc1cc2c(-c3ccc(S(=O)(=O)NCCN(C(=O)O)C(C)(C)C)s3)ccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
CAPN1 P07384 7/20 0.35
MCL1 Q07820 2/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL13241039 0.84 P2RY14 (0.43) MAP3K5PTGDR2CAPN1MCL1KDM4E
SCHEMBL3671935 0.82 MAP3K5 (0.39) MAP3K5PTGDR2PIK3C3CAPN1MCL1
SCHEMBL13241037 0.78 PTGDR2 (0.40) MAP3K5PTGDR2PIK3C3
SCHEMBL3613975 0.78 IKBKB (0.42) PTGDR2
SCHEMBL13981531 0.77 CA12 (0.48) MAP3K5PTGDR2PIK3C3
Trifluoroacetic Acid SCHEMBL2989883 0.76 MAP3K5 (0.64) MAP3K5CAPN1
SCHEMBL3417470 0.75 IKBKB (0.43) PTGDR2
SCHEMBL2980723 0.74 MAP3K5 (0.52) MAP3K5PTGDR2CAPN1MCL1
SCHEMBL2987892 0.74 IKBKB (0.38) MAP3K5PTGDR2PIK3C3
SCHEMBL2987895 0.73 IKBKB (0.45) MAP3K5PTGDR2PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 MAP3K5 7/4885PTGDR2 565/4885PIK3C3 136/4885

“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.