SCHEMBL424574

SCHEMBL424574

O=S(=O)(c1ccccc1)n1c(Br)cc2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.49
PTGDR Q13258 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
HTR6 P50406 3/20 0.45
PKM P14618 1/20 0.43
NOD1 Q9Y239 2/20 0.42
ALDH3A1 P30838 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 2/20 0.41
SRC P12931 1/20 0.41
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL24107949 0.86 LMNA (0.52) ACLYPTGDRPTGDR2HTR6NOD1
SCHEMBL3560737 0.84 PTGDR2 (0.53) ACLYPTGDRPTGDR2HTR6PKM
SCHEMBL423718 0.83 CA12 (0.55) ACLYHTR6PKMNOD1SRC
SCHEMBL17422837 0.82 ACLY (0.46) ACLYPTGDRPTGDR2HTR6PKM
SCHEMBL3558271 0.81 ACLY (0.67) ACLYPTGDRPTGDR2CA12CA2
SCHEMBL17927607 0.80 ACLY (0.44) ACLYPTGDRPTGDR2HTR6PKM
SCHEMBL3969132 0.73 ACLY (0.42) ACLYPTGDRPTGDR2HTR6PKM
SCHEMBL14953618 0.73 ACLY (0.61) ACLYPTGDRPTGDR2NOD1ALDH3A1
SCHEMBL426117 0.73 HTR6 (0.68) HTR6PKMHTTMEN1KMT2A
SCHEMBL422051 0.72 ACLY (0.54) ACLYPTGDRPTGDR2CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 ACLY 3445/4885PTGDR 1821/4885PTGDR2 2335/4885

“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.