SCHEMBL3778136

SCHEMBL3778136

CC(C)C1C[N@]1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
POLB P06746 3/20 0.59
LMNA P02545 2/20 0.59
ACHE P22303 1/20 0.56
PKM P14618 1/20 0.53
KMT2A Q03164 4/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL3778133 1.00 ALDH1A1 (0.59) ALDH1A1POLBLMNAACHEPKM
SCHEMBL3646718 1.00 ALDH1A1 (0.59) ALDH1A1POLBLMNAACHEPKM
SCHEMBL18794812 0.82 ALDH1A1 (0.69) ALDH1A1POLBLMNAACHEPKM
SCHEMBL3227122 0.77 KMT2A (0.70) ALDH1A1POLBLMNAACHEPKM
SCHEMBL3227131 0.77 KMT2A (0.70) ALDH1A1POLBLMNAACHEPKM
SCHEMBL22308528 0.77 ACHE (0.51) ALDH1A1LMNAACHESMN1; SMN2
SCHEMBL1791317 0.75 KMT2A (0.58) ALDH1A1POLBLMNAACHEPKM
SCHEMBL13958398 0.75 TSHR (0.38) ALDH1A1POLBLMNAACHEKMT2A
SCHEMBL291869 0.75 ALDH1A1 (0.53) ALDH1A1POLBLMNAACHEPKM
SCHEMBL291871 0.75 ALDH1A1 (0.53) ALDH1A1POLBLMNAACHEPKM

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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 ALDH1A1 4038/4885POLB 3592/4885LMNA 3191/4885

“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.