SCHEMBL1897119

SCHEMBL1897119

O=C(S)c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
HDAC8 Q9BY41 2/20 0.47
MMP3 P08254 1/20 0.47
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
PTPN1 P18031 1/20 0.46
CDC25B P30305 1/20 0.46
PLK1 P53350 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MCL1 Q07820 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1420869 0.84 CDC25B (0.58) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL1573627 0.84 NR4A1 (0.65) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL1641502 0.82 NR4A1 (0.70) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL23759473 0.81 NR4A1 (0.52) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL5849850 0.81 BCAT2 (0.55) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL31621277 0.81 BCAT2 (0.55) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL4032874 0.81 NR4A1 (0.52) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL30892682 0.81 BCAT2 (0.55) NR4A1NR4A2NR4A3HDAC8MMP3
Ammonia Solution, Strong SCHEMBL11705221 0.81 NR4A1 (0.68) NR4A1NR4A2NR4A3HDAC8MMP3
SCHEMBL9406823 0.79 NR4A1 (0.55) NR4A1NR4A2NR4A3HDAC8MMP3

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-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 EP disclosed
EP-2496549-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 US disclosed
WO-2011054818-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO 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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA NR4A1 4728/4885NR4A2 4822/4885NR4A3 4807/4885

“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.