SCHEMBL10123401

SCHEMBL10123401

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nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
TRPA1 O75762 1/20 0.37
GLO1 Q04760 1/20 0.37
HTT P42858 1/20 0.34
PIN1 Q13526 1/20 0.34
METAP2 P50579 2/20 0.34
METAP1 P53582 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 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
SCHEMBL16488722 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL17040285 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18213891 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL112149 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28012631 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14763884 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL805601 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL112148 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8645598 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5449519 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507673-B2 Process for preparing 5,7 diaminopyrazolo [1,5-A] pyrimidine compounds EMORY UNIVERSITY (US) 2013-08-13 US disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
US-20120041198-A1 Process for Preparing 5,7 Diaminopyrazolo [1,5-a] Pyrimidine Compounds EMORY UNIVERSITY 2012-02-16 US disclosed
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-02-24 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 (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-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE MTAP, PNP, TYMP ALDH1A1 1228/4885LMNA 1392/4885HSD17B10 2215/4885
US-20120041198-A1 Process for Preparing 5,7 Diaminopyrazolo [1,5-a] Pyrimidine Compounds DPYD, NUDT1, UMPS ALDH1A1 643/4885LMNA 1745/4885HSD17B10 4502/4885

“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.