SCHEMBL21891745

SCHEMBL21891745

CSCCC(N=C=O)C(=O)OCCOC(=O)C(CCSC)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.35
MIF P14174 1/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL21891739 0.89 RNPEP (0.34) RNPEP
SCHEMBL979343 0.88 METAP2 (0.40) RNPEPMETAP2METAP1
SCHEMBL6895345 0.86 MIF (0.41) RNPEPMIF
SCHEMBL6895344 0.86 MIF (0.41) RNPEPMIF
SCHEMBL23130163 0.82 RNPEP (0.33) RNPEPMETAP2METAP1
SCHEMBL21891742 0.82 RNPEP (0.33) RNPEPMETAP2METAP1
SCHEMBL12483239 0.82 CTSS (0.40) RNPEP
SCHEMBL7837552 0.80 RNPEP (0.47) RNPEP
SCHEMBL7837555 0.80 RNPEP (0.47) RNPEP
SCHEMBL21891787 0.80 METAP2 (0.32) RNPEPMETAP2METAP1

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-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 RNPEP 609/4885MIF 4079/4885METAP2 2477/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 RNPEP 609/4885MIF 4079/4885METAP2 2477/4885

“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.