SCHEMBL14414833

SCHEMBL14414833

CC(=O)N[C@@H]1C(O)O[C@H](COP(=O)(O)O)C1O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AMDHD2 Q9Y303 1/20 0.62
▸ FBP1 P09467 1/20 0.56
▸ LGALS3 P17931 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ IGF2R P11717 4/20 0.42
▸ PGD P52209 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ ATIC P31939 1/20 0.37
▸ UMPS P11172 1/20 0.37

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
SCHEMBL14414838 1.00 AMDHD2 (0.62) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL29394667 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL4363206 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL29425232 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL20558753 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL25361382 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL14669223 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL4363197 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL20912983 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2
SCHEMBL20299968 0.96 AMDHD2 (0.68) AMDHD2FBP1LGALS3MAPK1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 — — 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 (1 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-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs PARP1, TIPARP, CD38 AMDHD2 21/4885FBP1 687/4885LGALS3 1890/4885

“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.

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