SCHEMBL17829753

SCHEMBL17829753

NS(=O)(=O)c1ccc2c(=O)[nH]c(-c3cc(Br)cc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 10/20 0.49
TNKS2 Q9H2K2 9/20 0.45
WNT3A P56704 1/20 0.45
CHEK2 O96017 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
PARP1 P09874 4/20 0.37
SCD O00767 1/20 0.37
KIF11 P52732 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GUSB P08236 1/20 0.35
PARP2 Q9UGN5 2/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL17829788 0.86 TNKS (0.57) TNKSTNKS2WNT3ACHEK2PARP1
SCHEMBL17829751 0.78 TNKS (0.51) TNKSTNKS2WNT3ACYP1A1CYP1B1
SCHEMBL17829747 0.76 TNKS (0.48) TNKSTNKS2WNT3ACYP1A1CYP1B1
SCHEMBL17829745 0.75 TNKS (0.49) TNKSTNKS2WNT3APARP1PARP2
SCHEMBL17829731 0.74 TNKS (0.54) TNKSTNKS2WNT3ACYP1A1CYP1B1
SCHEMBL17831869 0.73 TNKS (0.56) TNKSTNKS2WNT3ACYP1A1CYP1B1
SCHEMBL17829722 0.72 TNKS (0.57) TNKSTNKS2WNT3APARP1PARP2
SCHEMBL17829729 0.71 TNKS (0.57) TNKSTNKS2WNT3APARP1PARP2
SCHEMBL17829743 0.71 TNKS (0.47) TNKSTNKS2WNT3APARP1PARP2
SCHEMBL17829936 0.71 TNKS (0.52) TNKSTNKS2WNT3APARP1PARP2

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 TNKS 1771/4885TNKS2 2811/4885WNT3A 2652/4885

“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.