SCHEMBL324715

SCHEMBL324715

CCOC(=O)[C@@H](C)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
IDH1 O75874 1/20 0.32
GRM2 Q14416 1/20 0.32
PIN1 Q13526 1/20 0.32
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.31
ATM Q13315 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CXCR2 P25025 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
SCHEMBL701746 1.00 POLB (0.38) POLBHSD17B10MAPTHTTSMN1; SMN2
SCHEMBL324716 1.00 POLB (0.38) POLBHSD17B10MAPTHTTSMN1; SMN2
SCHEMBL7285869 0.84 TSHR (0.36) MAPTSMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL27029062 0.83 ALDH1A1 (0.40) POLBMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8397971 0.82 POLB (0.36) POLBHSD17B10MAPTHTTSMN1; SMN2
SCHEMBL8397975 0.82 POLB (0.36) POLBHSD17B10MAPTHTTSMN1; SMN2
SCHEMBL16584183 0.81 CA14 (0.41) SMN1; SMN2KMT2ACXCR2MEN1
SCHEMBL2797628 0.81 CA14 (0.41) SMN1; SMN2KMT2ACXCR2MEN1
SCHEMBL2598240 0.81 CA14 (0.41) SMN1; SMN2KMT2ACXCR2MEN1
SCHEMBL2326461 0.80 HSD17B10 (0.35) POLBHSD17B10MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 US disclosed
US-8877786-B2 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877786-B2 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2735561-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors Novartis AG (CH) 2014-05-28 EP disclosed
US-20140088165-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-03-27 US disclosed
US-20140088165-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-03-27 US disclosed
US-8642635-B2 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-02-04 US disclosed
US-20030232846-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
EP-1315717-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 EP disclosed
EP-1244626-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2002-10-02 EP disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 US disclosed
US-6395918-B1 Conversion of a hydroxy group in certain alcohols into a fluorosulfonate ester or a trifluoromethylsulfonate ester LOEWENTHAL HANS JACOB EDGAR (IL) 2002-05-28 US disclosed
WO-2002018373-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO disclosed
WO-2001042216-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-06-14 WO disclosed
EP-1075463-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER Loewenthal, Hans Jacob Edgar (IL) 2001-02-14 EP disclosed
WO-1999055666-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER LOEWENTHAL HANS JACOB EDGAR (IL) 1999-11-04 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-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 POLB 1054/4885HSD17B10 1209/4885MAPT 1909/4885
US-20140088165-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors MME, REN, AGTR1 POLB 3974/4885HSD17B10 2404/4885MAPT 1760/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME POLB 3740/4885HSD17B10 4424/4885MAPT 4543/4885
US-20030232846-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP2 POLB 4042/4885HSD17B10 1611/4885MAPT 3562/4885

“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.