SCHEMBL20175915

SCHEMBL20175915

CCOc1ccc(C2=N[C@@](C)(C(=O)OC)CS2)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ALOX12 P18054 6/20 0.39
TP53 P04637 4/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 8/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
USP2 O75604 2/20 0.39
XBP1 P17861 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL20175919 0.91 MAPT (0.42) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL20176128 0.91 KMT2A (0.40) LMNAHTTMEN1KMT2AALOX12
SCHEMBL18197342 0.89 LPAR2 (0.41) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL20175902 0.88 CNR1 (0.41) LMNAHTTMEN1KMT2AALOX12
SCHEMBL20175917 0.88 CNR2 (0.41) MEN1KMT2AALDH1A1MAPTCNR1
SCHEMBL20175911 0.88 CNR2 (0.41) MEN1KMT2AALDH1A1MAPTCNR1
SCHEMBL20175924 0.88 MEN1 (0.44) LMNAHTTMEN1KMT2AALOX12
SCHEMBL20175916 0.87 MAPT (0.34) LMNAHTTMEN1KMT2AALOX12
SCHEMBL20175925 0.87 MEN1 (0.39) LMNAHTTMEN1KMT2AALOX12
SCHEMBL18197341 0.87 MAOB (0.35) LMNAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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 (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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 LMNA 3779/4885HTT 1011/4885MEN1 741/4885

“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.