SCHEMBL23432005

SCHEMBL23432005

Nc1ccc(S(=O)(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
AKR1B1 P15121 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 3/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HKDC1 Q2TB90 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
KCNH2 Q12809 1/20 0.41
CA12 O43570 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL19519154 0.82 NAMPT (0.48) TSHRLMNAAKR1B1ALDH1A1PKM
SCHEMBL776300 0.81 HTR2A (0.54) HTR6LMNAAKR1B1NAMPTKMT2A
SCHEMBL778076 0.80 AKR1B1 (0.58) AKR1B1ALDH1A1PKMNAMPTMAPT
SCHEMBL8866862 0.79 HTR6 (0.52) HTR6TSHRLMNAMPOCYP3A4
Methane SCHEMBL5104887 0.78 AKR1B1 (0.56) AKR1B1ALDH1A1PKMNAMPTMAPT
SCHEMBL3843683 0.78 HTR6 (0.76) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL20379704 0.78 HSPB1 (0.51) LMNAAKR1B1ALDH1A1NAMPTMAPT
SCHEMBL8866512 0.78 HTR6 (0.59) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL1990245 0.75 LMNA (0.55) LMNAAKR1B1PKMNAMPTMAPT
SCHEMBL19498735 0.73 NAMPT (0.42) AKR1B1NAMPTMAPTPTGDR2HTR2A

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-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 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 (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-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT HTR6 3535/4885TSHR 3541/4885LMNA 2516/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT HTR6 3535/4885TSHR 3541/4885LMNA 2516/4885

“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.