SCHEMBL18824864

SCHEMBL18824864

O=C(OS)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ PKM P14618 1/20 0.57
▸ BCL9 O00512 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HTR2A P28223 1/20 0.50
▸ HGFAC Q04756 1/20 0.50
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CES1 P23141 2/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CES2 O00748 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL26374 0.88 GAA (0.65) GAAKMT2APKMBCL9CTNNB1
Hydrochloric Acid SCHEMBL7895043 0.86 GAA (0.62) GAAKMT2APKMBCL9CTNNB1
SCHEMBL7296013 0.85 GAA (0.57) GAAKMT2APKMBCL9CTNNB1
SCHEMBL3176066 0.85 GAA (0.61) GAAKMT2APKMBCL9CTNNB1
SCHEMBL14378853 0.85 GAA (0.61) GAAKMT2APKMBCL9CTNNB1
SCHEMBL14308548 0.84 KMT2A (0.73) GAAKMT2APKMBCL9CTNNB1
SCHEMBL1639306 0.83 GAA (0.59) GAAKMT2APKMBCL9CTNNB1
SCHEMBL19246046 0.83 GAA (0.59) GAAKMT2APKMBCL9CTNNB1
SCHEMBL20377184 0.81 SMN1; SMN2 (0.64) GAAKMT2APKMBCL9CTNNB1
SCHEMBL7296010 0.81 GAA (0.57) GAAKMT2APKMBCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 — — US disclosed
US-10941139-B2 Cryptophycin compounds and conjugates, their preparation and their therapeutic use SANOFI (FR) 2021-03-09 — — US disclosed
EP-3371179-B1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2019-08-07 — — EP disclosed
EP-3371179-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2018-09-12 — — EP disclosed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 — — WO 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 (2 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-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE XPOT, HCCS, COIL GAA 455/4885KMT2A 3106/4885PKM 2888/4885
US-10941139-B2 Cryptophycin compounds and conjugates, their preparation and their therapeutic use XPOT, COIL, HCCS GAA 269/4885KMT2A 2771/4885PKM 2270/4885

“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.

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