SCHEMBL3241709

SCHEMBL3241709

O=S(=O)(c1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
HTR6 P50406 2/20 0.47
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HCRTR1 O43613 1/20 0.42
TSHR P16473 2/20 0.41
AKR1B1 P15121 1/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL28353000 0.83 ALDH1A1 (0.40) CA1CA2CA9F2PRSS1
SCHEMBL4620603 0.82 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL31603816 0.82 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL855323 0.82 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL3670166 0.81 DNMT1 (0.42) CA1CA2CA9RORARORC
SCHEMBL6929900 0.80 CA2 (0.44) CA1CA2CA9MEN1KMT2A
SCHEMBL17288355 0.78 CA1 (0.38) CA1CA2CA9F2PRSS1
SCHEMBL3239658 0.77 CA1 (0.63) CA1CA2CA9F2PRSS1
SCHEMBL66198 0.77 CA1 (0.49) CA1CA2CA9F2PRSS1
SCHEMBL16568785 0.77 ERN1 (0.50) CA1CA2CA9RORARORC

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
CN-102224157-A Novel compound, process for producing the compound, organic semiconductor material, and organic semiconductor device UNIV HIROSHIMA 2011-10-19 CN claimed
CN-102224157-A Novel compound, process for producing the compound, organic semiconductor material, and organic semiconductor device UNIV HIROSHIMA 2011-10-19 CN disclosed
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 CA1 2629/4885CA2 1149/4885CA9 828/4885

“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.