SCHEMBL423542

SCHEMBL423542

COC(=O)CC1(N)COC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TSHR P16473 5/20 0.37
HSD17B10 Q99714 2/20 0.34
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
GLA P06280 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL15788863 0.85 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
SCHEMBL17047091 0.85 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
Hydrochloric Acid SCHEMBL15774968 0.83 TP53 (0.33) TP53TSHRGLAKDM4ELMNA
SCHEMBL13467945 0.82 GAA (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL370386 0.80
SCHEMBL3644810 0.80 GLA (0.38) TP53TSHRHSD17B10MGAMGAA
Hydrochloric Acid SCHEMBL7418374 0.79 GLA (0.37) TP53TSHRHSD17B10MGAMGAA
Hydrochloric Acid SCHEMBL15610727 0.78 TSHR (0.40) TP53TSHRHSD17B10MGAMGAA
SCHEMBL1966339 0.77 EPHX1 (0.44) TP53TSHRHSD17B10MGAMGAA
SCHEMBL3737098 0.77 TSHR (0.39) TP53TSHRHSD17B10MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777020-B2 Furo-3-carboxamide derivatives and methods of use ABBVIE INC. (US) 2017-10-03 US disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. 2015-07-30 US disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
WO-2012139892-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
WO-2012139890-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (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-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE NTRK2, MUSK, NTRK3 TP53 3509/4885TSHR 35/4885HSD17B10 3817/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 TP53 3240/4885TSHR 651/4885HSD17B10 1955/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 TP53 3240/4885TSHR 651/4885HSD17B10 1955/4885

“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.