SCHEMBL3133132

SCHEMBL3133132

O=S(=O)(Oc1cccc2cc(Br)ccc12)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
DRD2 P14416 4/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
ALPL P05186 1/20 0.35
HTR5A P47898 1/20 0.35
ERN1 O75460 1/20 0.35
CYP2A6 P11509 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL5088679 0.85 DRD2 (0.36) ACHECYP1A2DRD2DRD4DRD3
SCHEMBL8222700 0.82 SCN9A (0.39) ACHEDRD2DRD3
SCHEMBL13233215 0.82 NCEH1 (0.48) KMT2ARXFP1ALPLERN1NCEH1
SCHEMBL6704839 0.82 NCEH1 (0.39) KMT2ARXFP1CA1CA2ALPL
SCHEMBL15712827 0.82 PLAU (0.46) CA1CA2DRD2DRD4DRD3
SCHEMBL29213977 0.81 PTPN1 (0.42) CA1CA2CA9PDE4APDE4C
SCHEMBL29937164 0.81 ALDH1A1 (0.46) MEN1KMT2AMAPK1CA1CA2
SCHEMBL1056365 0.81 ALDH1A1 (0.46) MEN1KMT2AMAPK1CA1CA2
SCHEMBL6473030 0.80 DRD2 (0.37) CA1CA2DRD2DRD4DRD3
SCHEMBL1180547 0.80 MTNR1A (0.44) ACHECYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483335-A Amyloid protein targeting agent and its application method AMYDIS INC 2019-11-22 CN disclosed
CN-106573880-B Amyloid targeting agents and methods of use thereof 阿米达斯公司 2019-07-30 CN disclosed
CN-106573880-A Amyloid targeting agents and methods of use thereof 阿米达斯诊断公司 2017-04-19 CN disclosed
CN-102574828-A Fluoranthene compound and organic electroluminescent element using same IDEMITSU KOSAN CO 2012-07-11 CN disclosed
CN-102209722-A Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2011-10-05 CN disclosed
EP-1993986-B1 PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2010-07-14 EP disclosed
US-20100010265-A1 PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE COMELY ALEXANDER CHRISTIAN 2010-01-14 US disclosed
US-7645910-B2 Process for the preparation of aromatic derivatives of 1-adamantane FINORGA SAS (FR) 2010-01-12 US disclosed
US-20090137841-A1 PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2009-05-28 US disclosed
CN-1265645-A Urokinase inhibitors ABBOTT LAB (US) 2000-09-06 CN 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 (2 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-20100010265-A1 PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE AMD1, CYP51A1, DDC ACHE 646/4885MEN1 2401/4885KMT2A 4095/4885
US-20090137841-A1 PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE AMD1, CYP51A1, DDC ACHE 646/4885MEN1 2401/4885KMT2A 4095/4885

“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.