SCHEMBL15216504

SCHEMBL15216504

CC(C)(C)/[N+]([O-])=C/c1ccccc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MYC P01106 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ATIC P31939 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 2/20 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
SCHEMBL29514984 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1TDP1MYC
SCHEMBL1004336 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1TDP1MYC
SCHEMBL6449477 0.98 KMT2A (0.38) KMT2AALDH1A1MEN1TDP1MYC
SCHEMBL29136456 0.93 TDP1 (0.46) KMT2AALDH1A1MEN1TDP1MYC
SCHEMBL2799147 0.85 KMT2A (0.36) KMT2AALDH1A1MEN1TDP1TSHR
SCHEMBL13232732 0.85 KMT2A (0.36) KMT2AALDH1A1MEN1TDP1TSHR
SCHEMBL6449468 0.83 KMT2A (0.38) KMT2AALDH1A1MEN1TDP1THRB
SCHEMBL13232749 0.83 CA2 (0.40) KMT2AALDH1A1MEN1CYP2C9CA1
SCHEMBL13233049 0.82 PSIP1 (0.36) KMT2AALDH1A1MEN1TDP1CYP1A2
SCHEMBL2800278 0.82 PSIP1 (0.36) KMT2AALDH1A1MEN1TDP1CYP1A2

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-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-08-29 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-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION ALDH1A2, PDE6C, NQO1 KMT2A 4552/4885ALDH1A1 283/4885MEN1 4716/4885

“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.