SCHEMBL6021058

SCHEMBL6021058

CCCCCCOC(=O)NC(C[S+](C)[O-])C(=O)N(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ACHE P22303 12/20 0.36
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL6021060 0.82 EPHX1 (0.42) EPHX1ACHE
SCHEMBL6021272 0.81 CTSS (0.37) CTSLCTSBCTSSCTSK
SCHEMBL6021053 0.81 CTSS (0.51) EPHX1ACHECTSLCTSBCTSS
SCHEMBL6020802 0.81 EPHX1 (0.40) EPHX1ACHE
SCHEMBL6021573 0.77 NPC1 (0.36) EPHX1ACHECTSLCTSBCTSS
SCHEMBL6019979 0.77 CTSL (0.58) CTSLCTSBCTSSCTSK
SCHEMBL6019461 0.76 CTSS (0.56) CTSLCTSBCTSSCTSK
SCHEMBL6020269 0.75 SMN1; SMN2 (0.34) EPHX1ACHECTSLCTSBCTSS
SCHEMBL6019157 0.72 CTSB (0.52) CTSLCTSBCTSSCTSK
SCHEMBL6021079 0.72 CTSL (0.60) CTSLCTSBCTSSCTSK

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-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 EPHX1 22/4885ACHE 849/4885CTSL 2274/4885

“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.