SCHEMBL84175

SCHEMBL84175

C=CC[C@H](NCl)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL2982189 0.82 ALDH1A1 (0.37) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL2982187 0.82 ALDH1A1 (0.37) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL15304762 0.81 MEN1 (0.37) TAS1R3TAS1R1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2983167 0.80 ALDH1A1 (0.36) TAS1R3TAS1R1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2983171 0.80 ALDH1A1 (0.36) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL13036948 0.80 ALDH1A1 (0.36) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL10538154 0.78 TAS1R3 (0.37) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL8232821 0.78 KDM4E (0.38) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL713948 0.78 KDM4E (0.38) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL713068 0.78 KDM4E (0.38) TAS1R3TAS1R1MEN1KMT2AALDH1A1

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-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-8759480-B2 Contoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2014-06-24 US disclosed
US-8664256-B2 Kinesin inhibitors as cancer therapeutics NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-1984386-B1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LTD (AU) 2013-10-09 EP disclosed
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 US disclosed
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-01-24 US disclosed
US-20130012560-A1 KINESIN INHIBITORS AS CANCER THERAPEUTICS ABRAMS TINYA (US) 2013-01-10 US disclosed
US-8252832-B2 Kinesin inhibitors as cancer therapeutics NOVARTIS AG (CH) 2012-08-28 US disclosed
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2012-06-07 US disclosed
US-20090247744-A1 HYDROFORMYLATION PROCESS FOR PHARMACEUTICAL INTERMEDIATE DAUGS EDWARD D 2009-10-01 US disclosed
US-20090239922-A1 Kinesin inhibitors as cancer therapeutics NOVARTIS AG (CH) 2009-09-24 US disclosed
WO-2009077448-A1 KINESIN INHIBITORS AS CANCER THERAPEUTICS NOVARTIS AG (CH) 2009-06-25 WO disclosed
US-7538190-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2009-05-26 US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US disclosed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 WO disclosed
US-20080027218-A1 Hydroformylation Process for Pharmaceutical Intermediate DAUGS EDWARD D 2008-01-31 US disclosed
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2007-08-23 US disclosed
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 US disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US 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 (12 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-20090247744-A1 HYDROFORMYLATION PROCESS FOR PHARMACEUTICAL INTERMEDIATE ACE, ACE2, AGT TAS1R3 4850/4885TAS1R1 4825/4885MEN1 2819/4885
US-20080027218-A1 Hydroformylation Process for Pharmaceutical Intermediate ACE, ACE2, AGT TAS1R3 4855/4885TAS1R1 4830/4885MEN1 2831/4885
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, CDCA2 TAS1R3 4135/4885TAS1R1 4505/4885MEN1 73/4885
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 TAS1R3 4529/4885TAS1R1 4742/4885MEN1 1229/4885
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B TAS1R3 4428/4885TAS1R1 4529/4885MEN1 4230/4885
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES VIP, CANX, INHA TAS1R3 3348/4885TAS1R1 3740/4885MEN1 1446/4885
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 TAS1R3 1303/4885TAS1R1 1866/4885MEN1 3643/4885
US-20090239922-A1 Kinesin inhibitors as cancer therapeutics KIF5B, KIF18B, KIF18A TAS1R3 3863/4885TAS1R1 3996/4885MEN1 3980/4885
US-20130012560-A1 KINESIN INHIBITORS AS CANCER THERAPEUTICS KIF5B, KIF18B, KIF18A TAS1R3 3863/4885TAS1R1 3996/4885MEN1 3980/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 TAS1R3 4221/4885TAS1R1 4547/4885MEN1 67/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 TAS1R3 4529/4885TAS1R1 4742/4885MEN1 1229/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA TAS1R3 2684/4885TAS1R1 3087/4885MEN1 956/4885

“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.