SCHEMBL2801656

SCHEMBL2801656

CC[C@@](O)(CC(=O)O)c1ccnc(OC)c1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 6/20 0.42
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
CETP P11597 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 3/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC13A2 Q13183 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2801659 1.00 SLC13A5 (0.42) SLC13A5L3MBTL1ALDH1A1PKMACSS2
SCHEMBL2798702 0.83 SLC13A5 (0.42) SLC13A5ACSS2SLC13A2SLC13A3MAPT
SCHEMBL2798693 0.83 SLC13A5 (0.42) SLC13A5ACSS2SLC13A2SLC13A3MAPT
SCHEMBL2826537 0.80 IDH1 (0.31)
SCHEMBL2826531 0.80 IDH1 (0.31)
SCHEMBL2799853 0.75 RAB9A (0.43) L3MBTL1ALDH1A1PKMTSHRRAB9A
SCHEMBL7468653 0.72
SCHEMBL5509747 0.72 L3MBTL1 (0.38) SLC13A5L3MBTL1ALDH1A1PKMKDM4E
SCHEMBL8625559 0.70 TSHR (0.41) L3MBTL1ALDH1A1KDM4ETSHRRAB9A
SCHEMBL31563540 0.70 L3MBTL1 (0.38) L3MBTL1ALDH1A1PKMACSS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2010-07-01 US claimed
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2009-10-01 US claimed
US-20070167475-A1 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2007-07-19 US claimed
EP-1794127-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-13 EP claimed
WO-2006033011-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2006-03-30 WO claimed
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2010-07-01 US disclosed
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2010-07-01 US disclosed
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2010-07-01 US disclosed
US-7705155-B2 Processes for the production of useful intermediates SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2010-04-27 US disclosed
US-7705155-B2 Processes for the production of useful intermediates SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2010-04-27 US disclosed
US-7705155-B2 Processes for the production of useful intermediates SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2010-04-27 US disclosed
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2009-10-01 US disclosed
EP-1794127-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-13 EP disclosed
US-7135478-B2 Analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-11-14 US disclosed
WO-2006033011-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2006-03-30 WO disclosed
US-7012079-B1 Optically pure camptothecin analogues SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-03-14 US disclosed
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-17 US disclosed
US-6815546-B2 ANTICANCER AGENTS SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-11-09 US disclosed
EP-1338599-A1 Optically pure analogues of Camptothecin Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-08-27 EP disclosed
US-20030004150-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2003-01-02 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 (5 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-20070167475-A1 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY SLC13A5 2256/4885L3MBTL1 3140/4885ALDH1A1 449/4885
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY SLC13A5 2256/4885L3MBTL1 3140/4885ALDH1A1 449/4885
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES PGD, TALDO1, COASY SLC13A5 2256/4885L3MBTL1 3140/4885ALDH1A1 449/4885
US-20030004150-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them TOP1, TOP2A, TYMP SLC13A5 2792/4885L3MBTL1 3438/4885ALDH1A1 795/4885
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione MCL1, BRCA1, API5 SLC13A5 4165/4885L3MBTL1 511/4885ALDH1A1 284/4885

“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.