SCHEMBL8861972

SCHEMBL8861972

O=C(CS)NC(CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
PTGS2 P35354 1/20 0.61
THPO P40225 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ACE P12821 1/20 0.55
FOLH1 Q04609 2/20 0.52
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
PTGS1 P23219 2/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
CA4 P22748 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.37

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
SCHEMBL929428 1.00 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4990899 0.86 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1493214 0.86 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10503663 0.86 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24308826 0.84 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL22117302 0.84 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL26964341 0.84 TGFBR1 (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL22117303 0.84 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL367571 0.84 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27125557 0.84 TGFBR1 (0.52) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200030268-A1 AGENTS FOR INCREASING MEIBOMIAN GLAND LIPID SECRETION Azura Ophthalmics Ltd. (IL) 2020-01-30 US disclosed
US-20090169497-A1 Treatment and Prevention of Skin Injury Due to Exposure to Ultraviolet Light THE REGENTS OF THE UNIVERSITY OF COLORADO 2009-07-02 US disclosed
US-5606028-A Anchimeric radiometal chelating compounds NEORX CORPORATION (US) 1997-02-25 US disclosed
US-5202451-A ANCHIMERIC RADIOMETAL CHELATING COMPOUNDS NEORX CORPORATION (US) 1993-04-13 US disclosed
US-4925925-A Radioactive rhenium ligated to 2-hydroxy isobutyric acid and method of use UNIVERSITY OF CINCINNATI (US) 1990-05-15 US disclosed
US-4839467-A Radioactive rhenium complexed to 2-hydroxy isobutyric acid UNIVERSITY OF CINCINNATI (US) 1989-06-13 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-20200030268-A1 AGENTS FOR INCREASING MEIBOMIAN GLAND LIPID SECRETION MGLL, LIPA, LIPE KDM4E 4740/4885MAPT 3415/4885THRB 1105/4885
US-20090169497-A1 Treatment and Prevention of Skin Injury Due to Exposure to Ultraviolet Light MGMT, S100A6, S100A9 KDM4E 4457/4885MAPT 2693/4885THRB 3720/4885

“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.