SCHEMBL1909477

SCHEMBL1909477

COc1ccc(C(=O)N2CC[C@@H](O)[C@@H]2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
GRM3 Q14832 3/20 0.50
SLC18A3 Q16572 2/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 2/20 0.47

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
SCHEMBL1909511 0.87 MMP3 (0.50) GAASMN1; SMN2TSHRRECQLHPGD
SCHEMBL1109146 0.82 HSD11B1 (0.50) HSD11B1
SCHEMBL12064387 0.82 HSD11B1 (0.50) HSD11B1
SCHEMBL399384 0.82 HSD11B1 (0.50) HSD11B1
SCHEMBL1909368 0.80 NPC1 (0.55) SMN1; SMN2TSHRRECQLHPGDSLC18A3
SCHEMBL4001868 0.77 ALDH1A1 (0.74) GAASMN1; SMN2TSHRRECQLHPGD
SCHEMBL4001869 0.77 ALDH1A1 (0.74) GAASMN1; SMN2TSHRRECQLHPGD
SCHEMBL27011217 0.77 ALDH1A1 (0.74) GAASMN1; SMN2TSHRRECQLHPGD
SCHEMBL401215 0.77 S1PR1 (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL13753517 0.74 HPGD (0.71) GAASMN1; SMN2HPGDPOLBALDH1A1

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS GAA 79/4885SMN1; SMN2 2296/4885TSHR 4122/4885

“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.