SCHEMBL9626151

SCHEMBL9626151

COC(=O)[C@H](CS)NC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
ACE P12821 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL9626149 1.00 PDF (0.38) PDFSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL23307951 0.83 MME (0.39) PDFSMN1; SMN2THRBNOS3NOS1
SCHEMBL18358240 0.83 CA2 (0.40) PDFSMN1; SMN2NOS3NOS1NOS2
SCHEMBL928879 0.81 ACE (0.41) PDFSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL21691946 0.81 ACE (0.41) PDFSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL11338156 0.80 ITGB3 (0.36) PDFSMN1; SMN2THRBNOS3NOS1
SCHEMBL16406515 0.80 CA2 (0.34) PDFSMN1; SMN2MAPTNOS3NOS1
SCHEMBL6675294 0.80 NOS3 (0.49) SMN1; SMN2NOS3NOS1NOS2POLB
SCHEMBL9624302 0.79 PDF (0.34) PDFSMN1; SMN2THRBNOS3NOS1
SCHEMBL6623611 0.79 FOLH1 (0.35) PDFSMN1; SMN2NOS3NOS1NOS2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685330-A Process for producing mercaptoethylene compound 华南理工大学 2022-07-01 CN disclosed
US-10730897-B2 Manganese chelate compounds GE HEALTHCARE AS (NO) 2020-08-04 US disclosed
US-20200062791-A1 MANGANESE CHELATE COMPOUNDS GE HEALTHCARE AS (NO) 2020-02-27 US disclosed
EP-0169033-B1 INHIBITORS OF SLOW REACTING SUBSTANCE OF ANAPHYLAXIS SCHERING CORPORATION (US) 1992-02-12 EP disclosed
EP-0170048-B1 ALIPHATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-17 EP disclosed
US-4988716-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1991-01-29 US disclosed
EP-0201823-B1 NOVEL INTERMEDIATES FOR THE PRODUCTION OF PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1990-12-05 EP disclosed
US-4963578-A LEUKOTRIN ANTAGONISTS; ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1990-10-16 US disclosed
US-RE33300-E LEUKOTRIENE ANTAGONISTS; ANTIALLERGENS ELI LILLY AND COMPANY (US) 1990-08-14 US disclosed
US-4889873-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1989-12-26 US disclosed
EP-0201823-A2 Novel intermediates for the production of pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1986-11-20 EP disclosed
US-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed
EP-0170048-A2 Aliphatic thioethers CIBA-GEIGY AG (CH) 1986-02-05 EP disclosed
EP-0169033-A2 Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1986-01-22 EP disclosed
US-4513005-A SULFIDE OR SULFONE HYDROXY ACIDS LILLY INDUSTRIES LIMITED (GB) 1985-04-23 US disclosed
EP-0063858-B1 LEUKOTRIENE ANALOGUES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Lilly Industries Limited (GB) 1985-03-20 EP disclosed
EP-0134111-A1 Araliphatic sulphides,sulphones and sulphoxides and their pharmaceutical use Lilly Industries Limited (GB) 1985-03-13 EP disclosed
EP-0068739-B1 SULPHUR-CONTAINING 5-HYDROXY-ALKANOIC ACID DERIVATIVES, THEIR USE AS PHARMACEUTICAL PREPARATIONS AND PROCESS FOR THEIR PRODUCTION Lilly Industries Limited (GB) 1984-11-14 EP disclosed
EP-0068739-A1 Sulphur-containing 5-hydroxy-alkanoic acid derivatives, their use as pharmaceutical preparations and process for their production Lilly Industries Limited (GB) 1983-01-05 EP disclosed
EP-0063858-A1 Leukotriene analogues, their preparation and use in pharmaceutical compositions Lilly Industries Limited (GB) 1982-11-03 EP 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-20200062791-A1 MANGANESE CHELATE COMPOUNDS MPI, SLC39A3, SLC39A14 PDF 2147/4885SMN1; SMN2 45/4885KDM4E 903/4885
US-10730897-B2 Manganese chelate compounds MPI, SLC39A3, SLC39A14 PDF 2147/4885SMN1; SMN2 45/4885KDM4E 903/4885

“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.