SCHEMBL17245262

SCHEMBL17245262

CC(C)(C)O[C@H](CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.35
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 1/20 0.32
PRKCA P17252 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL17250792 1.00 OR51E2 (0.35) OR51E2MEN1GAAKMT2ATGFBR1
SCHEMBL17245272 0.81 SMN1; SMN2 (0.39) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL17245271 0.81 SMN1; SMN2 (0.39) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL13484735 0.81 SMN1; SMN2 (0.39) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL17245266 0.81 PRKCA (0.31) PRKCA
SCHEMBL13484721 0.79 SRR (0.34) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL12285641 0.79 TDP1 (0.39) MEN1GAAKMT2AMAPT
SCHEMBL13484733 0.77 LAP3 (0.44) MEN1KMT2AALDH1A1
SCHEMBL11604860 0.77 OR51E2 (0.32) OR51E2MEN1GAAKMT2ATGFBR1
SCHEMBL27646096 0.77 CHRM1 (0.44) MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 US disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 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-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE MSR1, TPMT, M6PR OR51E2 4422/4885MEN1 654/4885GAA 3377/4885

“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.