SCHEMBL17844950

SCHEMBL17844950

O=c1cc(OS(=O)(=O)C(F)(F)F)c2c(o1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.35
MAOB P27338 1/20 0.35
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
DRD4 P21917 2/20 0.33
HTR6 P50406 1/20 0.33
HTR5A P47898 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CRHBP P24387 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
HSD11B1 P28845 1/20 0.32
STS P08842 4/20 0.32

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
SCHEMBL17844924 0.82 DRD2 (0.33) DRD2DRD3DRD4HTR6HTR5A
SCHEMBL17847613 0.77 HTR6 (0.34) DRD2DRD3DRD4HTR6HSD11B1
SCHEMBL17865171 0.72 ESR2 (0.40) MAPK1STSCA12CA1CA2
SCHEMBL13486875 0.70 MEN1 (0.64) MAOAMAOBMAPK1HTTMEN1
SCHEMBL3213398 0.70 MAOA (0.34) MAOAMAOBDRD2DRD3DRD4
SCHEMBL17844923 0.69 MEN1 (0.46) MAOAMAOBTSHRMAPK1HTT
SCHEMBL4709820 0.69 KDM4E (0.57) TSHRMEN1CASP1CASP7KMT2A
SCHEMBL7532011 0.69 RXFP1 (0.61) TSHRMAPK1HTTMEN1CYP1A2
SCHEMBL16871978 0.69 SMN1; SMN2 (0.37) DRD2DRD3MAPK1MEN1KMT2A
SCHEMBL12533716 0.68 STS (0.36) DRD2DRD3DRD4STSHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 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 (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-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP MAOA 1596/4885MAOB 1800/4885DRD2 2706/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP MAOA 1596/4885MAOB 1800/4885DRD2 2706/4885

“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.