SCHEMBL3844697

SCHEMBL3844697

CC(C(=O)O)C(=O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.52
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTGS2 P35354 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
CYP2C9 P11712 1/20 0.42
PLOD1 Q02809 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL649287 0.80 KMT2A (0.55) NAPRTCYP3A4PTGS2KMT2AALDH1A1
SCHEMBL8823334 0.80 KMT2A (0.55) NAPRTCYP3A4PTGS2KMT2AALDH1A1
SCHEMBL888683 0.80 CYP1A2 (0.55) NAPRTCYP1A2CYP3A4MAOAMAOB
SCHEMBL5162688 0.80 NAPRT (0.48) NAPRTCYP1A2CYP3A4MAOAMAOB
SCHEMBL82140 0.77 ALDH1A1 (0.58) CYP1A2CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL27598315 0.77 CYP1A2 (0.45) NAPRTCYP1A2CYP3A4MAOAMAOB
SCHEMBL12337833 0.77 CYP1A2 (0.51) NAPRTCYP1A2CYP3A4MAOAMAOB
SCHEMBL1887807 0.77 CYP1A2 (0.51) NAPRTCYP1A2CYP3A4MAOAMAOB
SCHEMBL7302432 0.77 CYP1A2 (0.51) NAPRTCYP1A2CYP3A4MAOAMAOB
SCHEMBL27480368 0.77 CYP1A2 (0.51) NAPRTCYP1A2CYP3A4MAOAMAOB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP disclosed
EP-1556398-B1 NOVEL CYTARABINE MONOPHOSPHATE PRODRUGS METABASIS THERAPEUTICS INC (US) 2009-09-09 EP disclosed
US-7553826-B2 Cytarabine monophosphate prodrugs METABASIS THERAPEUTICS, INC. (US) 2009-06-30 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20070037774-A1 Cytarabine monophosphate (araCMP) cyclic diesters of 1,3 propane-1-(4-pyridyl) diols that (5'-O-cis-[4-(4-pyridyl)-1,3,2-dioxaphosphorin-2-oxo-2-yl]-cytosine-beta -D-arabinofuranoside); liver cancer; liver disorders; liver viral infections; activates cytochrome P450; side effect reduction; half-life CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-02-15 US disclosed
US-7151092-B2 Cytarabine monophosphate prodrugs METABASIS THERAPEUTICS, INC. (US) 2006-12-19 US disclosed
US-20040092476-A1 Novel cytarabine monophosphate prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2004-05-13 US disclosed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 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 (2 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-20040092476-A1 Novel cytarabine monophosphate prodrugs TYMP, CDA, PNP NAPRT 160/4885CYP1A2 337/4885CYP3A4 95/4885
US-20070037774-A1 Cytarabine monophosphate (araCMP) cyclic diesters of 1,3 propane-1-(4-pyridyl) diols that (5'-O-cis-[4-(4-pyridyl)-1,3,2-dioxaphosphorin-2-oxo-2-yl]-cytosine-beta -D-arabinofuranoside); liver cancer; liver disorders; liver viral infections; activates cytochrome P450; side effect reduction; half-life TYMP, CDA, PNP NAPRT 357/4885CYP1A2 107/4885CYP3A4 80/4885

“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.