SCHEMBL17894501

SCHEMBL17894501

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.56
FBP1 P09467 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR6 P50406 2/20 0.49
NAMPT P43490 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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 SCHEMBL17894409 0.92 MAPT (0.54) PGRFBP1MEN1KMT2AMAPT
SCHEMBL17894395 0.89 PGR (0.62) PGRFBP1MAPTPKMNAMPT
SCHEMBL19639311 0.89 CYP19A1 (0.59) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL17894397 0.83 MAPT (0.57) PGRMEN1KMT2AMAPTHTT
Trifluoroacetic Acid SCHEMBL17894485 0.82 MAPT (0.55) MEN1KMT2AMAPTHTTNPSR1
Trifluoroacetic Acid SCHEMBL17894402 0.82 PGR (0.56) PGRFBP1MAPTLMNATDP1
SCHEMBL19639245 0.80 PTGES2 (0.47) PGRMEN1KMT2AALDH1A1LMNA
SCHEMBL13134026 0.79 HTR3E (0.61) MAPT
SCHEMBL17894545 0.79 MAPT (0.53) PGRMEN1KMT2AMAPTHTT
Trifluoroacetic Acid SCHEMBL17894496 0.79 MAPT (0.57) PGRMEN1KMT2AMAPTHTT

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
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP claimed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO claimed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US 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 PGR 3767/4885FBP1 1595/4885MEN1 3309/4885

“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.