SCHEMBL12849436

SCHEMBL12849436

CC(=O)CC(C)(C)C(Cc1cc(Br)cn1S(=O)(=O)c1ccc(C)cc1)N=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
ALOX5 P09917 1/20 0.31
ALK Q9UM73 1/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL12697303 0.88 RAPGEF4 (0.34) CA1CA2RAPGEF4KMT2AALDH1A1
SCHEMBL8972077 0.84 CA1 (0.33) CA1CA2RAPGEF4KMT2AALDH1A1
SCHEMBL21433771 0.72 ALOX5 (0.32) CA1CA2RAPGEF4KMT2AALDH1A1
SCHEMBL28649703 0.69 CA1 (0.44) CA1CA2RAPGEF4ALDH1A1HTT
SCHEMBL30625972 0.68 CA1 (0.43) CA1CA2RAPGEF4ALDH1A1HTT
SCHEMBL28772775 0.68 CA1 (0.38) CA1CA2RAPGEF4KMT2AALDH1A1
SCHEMBL28670145 0.67 MAPK14 (0.35) CA1CA2RAPGEF4KMT2AALDH1A1
SCHEMBL28670140 0.67 MAPK14 (0.35) CA1CA2RAPGEF4KMT2AALDH1A1
SCHEMBL4170873 0.66 CA1 (0.41) CA1CA2RAPGEF4THRBLMNA
SCHEMBL4170912 0.66 RAPGEF4 (0.50) CA1CA2RAPGEF4KMT2AALDH1A1

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-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 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-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, QDPR CA1 2250/4885CA2 253/4885RAPGEF4 2241/4885

“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.