SCHEMBL6009013

SCHEMBL6009013

C=C(N)[C@H](CCSC)NC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
RNPEP Q9H4A4 1/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14567629 0.82 TSHR (0.37) TSHRANPEPENPEPLMNACA2
SCHEMBL14969740 0.81 RNPEP (0.33) ANPEPENPEPRNPEPLMNAMEN1
SCHEMBL3262043 0.81 RNPEP (0.33) ANPEPENPEPRNPEPLMNAMEN1
SCHEMBL4572445 0.81 RNPEP (0.38) ANPEPRNPEPLMNACA2CA1
SCHEMBL10172364 0.80
SCHEMBL16230377 0.80 ANPEP (0.36) TSHRANPEPENPEPRNPEPLMNA
SCHEMBL11130899 0.79 TSHR (0.41) TSHRRNPEPLMNACA2CA1
SCHEMBL10287235 0.79 RNPEP (0.32) ANPEPENPEPRNPEPLMNA
SCHEMBL13347807 0.79 RNPEP (0.36) ANPEPENPEPRNPEPLMNA
SCHEMBL7288159 0.79 TSHR (0.41) TSHRRNPEPLMNACA2CA1

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
EP-1912932-B1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS INC (US) 2012-05-02 EP disclosed
EP-2311795-A2 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators Nereus Pharmaceuticals, Inc. (US) 2011-04-20 EP disclosed
US-7893233-B2 Detection of nucleic acid sequence differences using the ligase detection reaction with addressable arrays CORNELL RESEARCH FOUNDATION, INC. (US) 2011-02-22 US disclosed
US-20100173802-A1 DETECTION OF NUCLEIC ACID SEQUENCE DIFFERENCES USING THE LIGASE DETECTION REACTION WITH ADDRESSABLE ARRAYS CORNELL RESEARCH FOUNDATION, INC. (US) 2010-07-08 US disclosed
EP-1607606-B1 Method and device for determining an internal combustion engine intake air flow rate based on the measurement of the oxygen concentration in the gaseous mixture taken in by the engine FIAT RICERCHE (IT) 2008-04-09 EP disclosed
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators HENSLER, MARY 2008-03-13 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 (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-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF TSHR 1529/4885ANPEP 1436/4885ENPEP 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.