SCHEMBL2370645

SCHEMBL2370645

CCOC(=O)C(C)(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
LMNA P02545 3/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 7/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
AR P10275 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9308781 0.93 MMP8 (0.52) MMP8LMNAKCNJ1KCNH2ALDH1A1
SCHEMBL19413781 0.89 ALDH1A1 (0.45) MMP8LMNAKCNJ1KCNH2ALDH1A1
SCHEMBL811589 0.85 LMNA (0.47) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL9308771 0.85 ALDH1A1 (0.56) ALDH1A1POLBMAPTGAARAB9A
SCHEMBL14340926 0.84 CYP2C19 (0.45) MMP8LMNAALDH1A1MAPTKMT2A
SCHEMBL14788910 0.84 ALDH1A1 (0.49) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL31275152 0.84 LMNA (0.46) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL1204803 0.83 MAPT (0.53) MMP8LMNAALDH1A1POLBMAPT
SCHEMBL7139929 0.82 ALDH1A1 (0.49) MMP8LMNAKCNJ1KCNH2ALDH1A1
SCHEMBL812176 0.82 LMNA (0.44) LMNAKCNJ1KCNH2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO disclosed
US-4501896-A Phenylmercaptotetrazolo- and nitroindazolo masked development/image modifiers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-26 US disclosed
US-4343893-A RELEASED VIA ELECTRON TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-10 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MMP8 3678/4885LMNA 1506/4885KCNJ1 3295/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MMP8 3678/4885LMNA 1506/4885KCNJ1 3295/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 MMP8 3678/4885LMNA 1506/4885KCNJ1 3295/4885

“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.