SCHEMBL1939682

SCHEMBL1939682

CCCCOC(=O)C(C)(C)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
ESR1 P03372 2/20 0.40
NAAA Q02083 1/20 0.39
CES2 O00748 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37

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
SCHEMBL14838181 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL19105204 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16160733 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9937877 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2690931 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28342806 0.81 NAAA (0.54) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL196154 0.81 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2680750 0.81 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL24142342 0.80 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL21137690 0.80 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 US disclosed
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 US disclosed
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 US disclosed
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US disclosed
EP-2331537-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2011-06-15 EP disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 WO disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 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 (4 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-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD ALDH1A1 2948/4885ATM 1223/4885TSHR 4017/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD ALDH1A1 2948/4885ATM 1223/4885TSHR 4017/4885
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PDPK1, MTOR, PIK3C2A ALDH1A1 2536/4885ATM 933/4885TSHR 3321/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD ALDH1A1 1908/4885ATM 712/4885TSHR 4161/4885

“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.