SCHEMBL20175902

SCHEMBL20175902

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 5/20 0.39
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
TP53 P04637 4/20 0.38
MAPK1 P28482 3/20 0.38
ALOX12 P18054 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 2/20 0.38
XBP1 P17861 2/20 0.38

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
SCHEMBL20175901 0.91 MEN1 (0.43) MAPTL3MBTL1GAAKMT2AMEN1
SCHEMBL18189630 0.89 PPARD (0.42) MAPTL3MBTL1LMNAGAAKMT2A
SCHEMBL18189628 0.89 PPARD (0.42) MAPTL3MBTL1LMNAGAAKMT2A
SCHEMBL18189559 0.89 HPGD (0.47) CNR1CNR2GPR55MAPTGAA
SCHEMBL20175915 0.88 LMNA (0.40) CNR1CNR2GPR55MAPTL3MBTL1
SCHEMBL20176128 0.88 KMT2A (0.40) CNR1CNR2GPR55MAPTL3MBTL1
SCHEMBL20175897 0.88 PTPN11 (0.45) CNR1CNR2MAPTL3MBTL1GAA
SCHEMBL20175900 0.88 PTPN11 (0.45) CNR1CNR2MAPTL3MBTL1GAA
SCHEMBL11963215 0.87 SLC22A12 (0.39)
SCHEMBL20175899 0.87 TSHR (0.37) MAPTL3MBTL1HTTLMNAGAA

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 CNR1 3794/4885CNR2 3585/4885GPR55 1531/4885

“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.