SCHEMBL4189030

SCHEMBL4189030

C=CC(=O)SCCN1CCN(CCOC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
SCN9A Q15858 1/20 0.32
PARP1 P09874 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.30
HSD17B10 Q99714 1/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RECQL P46063 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
SCHEMBL4196446 0.88 TSHR (0.30)
SCHEMBL4185375 0.80
SCHEMBL14094214 0.76 ALDH1A1 (0.42) P2RX7SCN9APARP1HTTHSD17B10
SCHEMBL4194394 0.74 SCN9A (0.36) SCN9APARP1HTTHSD17B10
SCHEMBL4200824 0.72 SCN9A (0.34) P2RX7SCN9APARP1ATM
SCHEMBL4189770 0.72 ALDH1A1 (0.36) P2RX7SCN9APARP1HTTKMT2A
SCHEMBL4199138 0.71 SCN9A (0.34) P2RX7SCN9APARP1
SCHEMBL9469787 0.70 TSHR (0.42) HSD17B10
SCHEMBL4198954 0.70 THRB (0.40) P2RX7SCN9APARP1HTTHSD17B10
SCHEMBL14094220 0.69 ALDH1A1 (0.39) SCN9APARP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
US-6797805-B2 Organic polymers and novel polymerizable compounds MITSUI CHEMICALS, INC. (JP) 2004-09-28 US disclosed
EP-1361246-A1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-11-12 EP disclosed
US-20030166808-A1 Organic polymers and novel polymerizable compound MITSUI CHEMICALS, INC. (JP) 2003-09-04 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-20030166808-A1 Organic polymers and novel polymerizable compound PCNA, UTP18, ODC1 P2RX7 4238/4885SCN9A 3491/4885PARP1 495/4885

“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.