SCHEMBL3240747

SCHEMBL3240747

O=S(=O)(c1cccc2ccccc12)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CNR1 P21554 9/20 0.49
COMT P21964 1/20 0.48
EPHX2 P34913 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
NPY5R Q15761 1/20 0.42
SLC6A9 P48067 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6097914 0.95 CA1 (0.52) MEN1KMT2ACA1CA2CA9
SCHEMBL20789878 0.91 CA1 (0.55) MEN1KMT2ACA1CA2CA9
SCHEMBL8484443 0.83 HTR6 (0.50) CA1CA2CA9HTR6
SCHEMBL10794598 0.82 HTR6 (0.54) CA1CA2CA9HTR6
Hydrochloric Acid SCHEMBL10795401 0.81 HTR6 (0.53) CA1CA2CA9HTR6
SCHEMBL19308201 0.77 CA1 (0.45) MEN1KMT2ACA1CA2CA9
SCHEMBL7541835 0.76 MEN1 (0.40) MEN1KMT2ACA1CA2CA9
SCHEMBL335090 0.76 CA1 (0.44) MEN1KMT2ACA1CA2CA9
SCHEMBL1705753 0.76 MEN1 (0.49) MEN1KMT2ACA1CA2CA9
SCHEMBL7888147 0.76 GAA (0.65) MEN1KMT2AEPHX2NPY5R

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-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 MEN1 300/4885KMT2A 85/4885CA1 2629/4885

“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.