SCHEMBL17894397

SCHEMBL17894397

N=C(N)NCc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
GAA P10253 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
HSD17B2 P37059 1/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 1/20 0.52
NAMPT P43490 1/20 0.51
RAB9A P51151 1/20 0.49
FFAR1 O14842 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
CCNA1 P78396 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL17894496 0.95 MAPT (0.57) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL19639260 0.90 NR3C1 (0.55) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL17894501 0.83 PGR (0.56) MAPTKMT2AMEN1NPSR1HTT
Trifluoroacetic Acid SCHEMBL17894409 0.82 MAPT (0.54) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL17894545 0.81 MAPT (0.53) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10310190 0.80 MLYCD (0.56) MAPTGAAKMT2AMEN1LMNA
SCHEMBL19639311 0.79 CYP19A1 (0.59) MAPTKMT2AMEN1NPSR1HTT
Trifluoroacetic Acid SCHEMBL17894485 0.79 MAPT (0.55) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL3553439 0.76 GAA (0.62) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL3762909 0.75 PGR (0.77) MAPTGAAKMT2AMEN1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB MAPT 4304/4885GAA 426/4885KMT2A 4411/4885

“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.