SCHEMBL545243

SCHEMBL545243

CCOC(=O)C1CC1(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ALDH1A1 P00352 6/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 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
SCHEMBL10071263 0.87 MAPT (0.35) MAPTPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL545633 0.81 ATM (0.32) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL10071262 0.78 ALDH1A1 (0.33) MAPTALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL545245 0.77 GAA (0.33) PPM1BPTPN1PPP1CCSMN1; SMN2GAA
SCHEMBL10071245 0.77 MAPT (0.39) MAPTPPM1BPTPN1ALDH1A1LMNA
SCHEMBL544747 0.75 KDM4E (0.32) MAPT
SCHEMBL13730327 0.72 PPM1B (0.40) MAPTPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL13449196 0.70 LMNA (0.39) MAPTPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL1061265 0.69 SLC6A4 (0.42) MAPTPPM1BPTPN1PPP1CC
SCHEMBL6617957 0.69 PPM1B (0.38) MAPTPPM1BPTPN1PPP1CCALDH1A1

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-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 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 (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-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX MAPT 3165/4885PPM1B 4452/4885PTPN1 2573/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 MAPT 3287/4885PPM1B 3904/4885PTPN1 2158/4885

“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.