SCHEMBL2980032

SCHEMBL2980032

O=S(=O)(NC1CCS(O)(O)CC1)c1ccc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.34
MMP13 P45452 2/20 0.34
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IKBKB O14920 9/20 0.32
CHUK O15111 9/20 0.32
F10 P00742 1/20 0.31
MAP3K5 Q99683 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL2981796 0.95 MMP1 (0.32) MMP1MMP13F10
SCHEMBL2980033 0.93 IKBKB (0.39) MMP1MMP13HPGDSMN1; SMN2IKBKB
SCHEMBL2981793 0.90 KMT2A (0.38) IKBKBCHUK
SCHEMBL2987892 0.90 IKBKB (0.38) MMP1MMP13HPGDSMN1; SMN2IKBKB
SCHEMBL3415802 0.85 IKBKB (0.46) IKBKBCHUKHTR1AHTR7
SCHEMBL2985375 0.83 IKBKB (0.47) IKBKBCHUKHTR1AHTR7
SCHEMBL2987895 0.82 IKBKB (0.45) HPGDSMN1; SMN2IKBKBCHUKMAP3K5
SCHEMBL3415349 0.81 IKBKB (0.42) IKBKBCHUKHTR1AHTR7
SCHEMBL13241054 0.80 PTGDR2 (0.36) MAP3K5
SCHEMBL2980723 0.79 MAP3K5 (0.52) IKBKBCHUKMAP3K5

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 MMP1 3392/4885MMP13 4694/4885HPGD 930/4885

“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.