SCHEMBL1937515

SCHEMBL1937515

COc1ccc(C(C)(C)C(=O)Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
PLK1 P53350 1/20 0.46
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPC1 O15118 3/20 0.44

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
SCHEMBL11673202 0.85 KMT2A (0.44) MAPTALDH1A1LMNAHSD17B10HPGD
SCHEMBL1939457 0.82 AKR1C3 (0.54) MAPTALOX15ALDH1A1LMNAMAPK1
SCHEMBL7588832 0.82 MAPT (0.53) MAPTALOX15ALDH1A1LMNAMAPK1
SCHEMBL1873446 0.80 ALDH1A1 (0.44) MAPTALDH1A1CA1CA2NPC1
SCHEMBL8187459 0.80 MAPT (0.56) MAPTALOX15ALDH1A1LMNAMAPK1
SCHEMBL7040641 0.80 MAPT (0.47) MAPTALOX15ALDH1A1LMNAMAPK1
SCHEMBL29756028 0.80 MAPT (0.59) MAPTALOX15ALDH1A1LMNAMAPK1
SCHEMBL25460827 0.77 PLK1 (0.56) MAPTALOX15ALDH1A1LMNAMAPK1
SCHEMBL3443562 0.77 MEN1 (0.54) MAPTALOX15ALDH1A1LMNAMAPK1
SCHEMBL28116625 0.77 ESR1 (0.52) MAPTALDH1A1LMNAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 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-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
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 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
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US disclosed
US-5214191-A OXIDANT SENSITIVE AND INSENSITIVE AROMATIC ESTERS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1993-05-25 US disclosed
EP-0465802-A1 Oxidant sensitive and insensitive aromatic esters as inhibitors of human neutrophil elastase CORTECH, INC. (US) 1992-01-15 EP disclosed
EP-0048045-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 EP 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-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD MAPT 1651/4885ALOX15 4754/4885ALDH1A1 2948/4885
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PDPK1, MTOR, PIK3C2A MAPT 1441/4885ALOX15 4561/4885ALDH1A1 2536/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD MAPT 1215/4885ALOX15 3048/4885ALDH1A1 1908/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD MAPT 1124/4885ALOX15 2664/4885ALDH1A1 1680/4885

“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.