SCHEMBL20180855

SCHEMBL20180855

COCCCCCCOc1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.41
GPR35 Q9HC97 1/20 0.41
PTPN11 Q06124 2/20 0.37
MAOB P27338 7/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
PPARD Q03181 1/20 0.35
S1PR1 P21453 3/20 0.35
S1PR5 Q9H228 3/20 0.35
S1PR3 Q99500 2/20 0.35

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
SCHEMBL12850776 0.93 HTR2B (0.43) HTR2BGPR35MAOBMAPTTSHR
SCHEMBL12850797 0.90 HTR2B (0.40) HTR2BGPR35MAPTTSHR
SCHEMBL26121507 0.90 HTR2B (0.40) HTR2BGPR35MAPTTSHR
SCHEMBL12850779 0.90 HTR2B (0.40) HTR2BGPR35MAPTTSHR
SCHEMBL21515889 0.90 HTR2B (0.40) HTR2BGPR35MAPTTSHR
SCHEMBL21515798 0.90 HTR2B (0.40) HTR2BGPR35MAPTTSHR
SCHEMBL20180857 0.90 HTR2B (0.42) HTR2BGPR35PTPN11MAOB
SCHEMBL18189564 0.90 MAPT (0.44) HTR2BGPR35PTPN11MAPTTSHR
SCHEMBL18189563 0.90 MAPT (0.44) HTR2BGPR35PTPN11MAPTTSHR
SCHEMBL20180893 0.87 HTR2B (0.43) HTR2BGPR35

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-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
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 (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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 HTR2B 2007/4885GPR35 1607/4885PTPN11 4644/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 HTR2B 2007/4885GPR35 1607/4885PTPN11 4644/4885

“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.