SCHEMBL3965853

SCHEMBL3965853

COC(=O)C(CC(=O)O)C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SLC6A4 P31645 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL15693937 0.83 KMT2A (0.53) KMT2AMAPTMAPK1MEN1GABBR2
SCHEMBL15693935 0.83 KMT2A (0.53) KMT2AMAPTMAPK1MEN1GABBR2
SCHEMBL27545350 0.82 KMT2A (0.51) KMT2AHTTMAPTMAPK1MEN1
SCHEMBL1692260 0.82 KMT2A (0.51) KMT2AMAPTMAPK1MEN1TSHR
SCHEMBL1692399 0.82 KMT2A (0.51) KMT2AMAPTMAPK1MEN1TSHR
SCHEMBL18172515 0.81 KMT2A (0.50) KMT2AMAPTMAPK1MEN1HPGD
SCHEMBL20876113 0.80 TDP1 (0.50) MAPTMAPK1GABBR2GABBR1LMNA
SCHEMBL11373044 0.78 KMT2A (0.47) KMT2AHTTMAPTMEN1GABBR2
SCHEMBL6681008 0.77 KMT2A (0.58) KMT2AMAPTMEN1GABBR2GABBR1
SCHEMBL15308726 0.77 KMT2A (0.50) KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 CN disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 CN 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS KMT2A 2685/4885HTT 2686/4885MAPT 201/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 KMT2A 2655/4885HTT 3314/4885MAPT 164/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS KMT2A 2610/4885HTT 3583/4885MAPT 197/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 KMT2A 2655/4885HTT 3314/4885MAPT 164/4885

“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.