SCHEMBL1521133

SCHEMBL1521133

CCS[C@@H]1O[C@H](C)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GSTP1 P09211 2/20 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
SCHEMBL1521120 1.00 MEN1 (0.32) MEN1KMT2APDPK1MTORMAPT
SCHEMBL582951 0.86 MEN1 (0.32) MEN1KMT2APDPK1MTORMAPT
SCHEMBL18269780 0.85 TACR2 (0.37) MEN1KMT2APDPK1MTORCYP2C19
SCHEMBL21126463 0.85 TACR2 (0.37) MEN1KMT2APDPK1MTORCYP2C19
SCHEMBL16550539 0.85 TACR2 (0.37) MEN1KMT2APDPK1MTORCYP2C19
SCHEMBL13129875 0.83 PDPK1 (0.37) MEN1KMT2APDPK1MTORMAPT
SCHEMBL13129819 0.83 PDPK1 (0.37) MEN1KMT2APDPK1MTORMAPT
SCHEMBL12083288 0.81 PDPK1 (0.40) PDPK1MTORMAPTCYP2C19
SCHEMBL2008597 0.81 PDPK1 (0.40) PDPK1MTORMAPTCYP2C19
SCHEMBL6762183 0.81 PDPK1 (0.40) PDPK1MTORMAPTCYP2C19

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-7906460-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER (US) 2011-03-15 US disclosed
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-08-02 US disclosed
US-7122359-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-17 US disclosed
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-03-20 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-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars PNP, NUDT14, ENTPD5 MEN1 3961/4885KMT2A 2923/4885PDPK1 3165/4885
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS PNP, NUDT14, NUDT5 MEN1 3910/4885KMT2A 2712/4885PDPK1 3428/4885

“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.