SCHEMBL1177115

SCHEMBL1177115

COC(=O)[C@@H](CC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ECE1 P42892 2/20 0.38
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.38
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
MME P08473 1/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL1176824 1.00 TDP1 (0.44) TDP1SMN1; SMN2ECE1CA14CA12
SCHEMBL1176819 1.00 TDP1 (0.44) TDP1SMN1; SMN2ECE1CA14CA12
SCHEMBL9794637 0.88 TDP1 (0.50) TDP1SMN1; SMN2CA14KMT2AHTT
SCHEMBL13595128 0.88 TDP1 (0.50) TDP1SMN1; SMN2CA14KMT2AHTT
SCHEMBL9212731 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL5513850 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL27210229 0.82 ALDH1A1 (0.44) TDP1SMN1; SMN2CA14CA12KMT2A
SCHEMBL17000160 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL27840352 0.80 TDP1 (0.41) TDP1SMN1; SMN2ECE1SLC1A3SLC1A2
SCHEMBL7672142 0.80 TDP1 (0.42) TDP1SMN1; SMN2ECE1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8394823-B2 Triazolopyridine compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
EP-1070043-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2004-02-18 EP disclosed
EP-1042270-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2003-04-09 EP disclosed
US-6414187-B1 PREPARING ENANTIOMERICALLY ENRICHED CARBOXYLIC ACID DERIVATIVE BY FORMING SALT OF DEHYDRO PRECURSOR ACID WITH STOICHIOMETRIC AMOUNT OF BASE AND ASYMMETRICALLY HYDROGENATING IN PRESENCE OF COMPLEX COMPRISING RHODIUM AND CHIRAL PHOSPHINE LIGAND CHIROTECH TECHNOLOGY, LTD. (GB) 2002-07-02 US disclosed
US-6207853-B1 SUCCINIC ACID DERIVATIVE CHIROTECH TECHNOLOGY, INC. (GB) 2001-03-27 US disclosed
EP-1070043-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2001-01-24 EP disclosed
EP-1042270-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2000-10-11 EP disclosed
WO-1999052852-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-10-21 WO disclosed
WO-1999031041-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-06-24 WO disclosed