SCHEMBL3687952

SCHEMBL3687952

Cc1c(S(=O)(=O)O)sc2ccc(C(F)(F)F)cc12.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CMA1 P23946 4/20 0.38
KIF11 P52732 2/20 0.38
PFKFB3 Q16875 4/20 0.37
DYRK1A Q13627 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ACP1 P24666 1/20 0.36
PFKFB4 Q16877 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL3684890 0.99 MEN1 (0.43) MEN1KMT2ANPSR1L3MBTL1CMA1
SCHEMBL3684064 0.84 NPSR1 (0.44) MEN1KMT2ANPSR1L3MBTL1CMA1
SCHEMBL3687954 0.83 NPSR1 (0.40) MEN1KMT2ANPSR1L3MBTL1CMA1
SCHEMBL787942 0.79 CMA1 (0.51) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL13508383 0.76 CA1 (0.44) NPSR1L3MBTL1CMA1PFKFB3LMNA
SCHEMBL2226181 0.76 NPSR1 (0.60) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL3946161 0.76 PFKFB3 (0.53) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
Hydrochloric Acid SCHEMBL6712744 0.75 NPSR1 (0.59) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL787895 0.74 PFKFB3 (0.57) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL2895391 0.74 GPR35 (0.54) MEN1KMT2ANPSR1KIF11DYRK1A

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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG MEN1 4858/4885KMT2A 2003/4885NPSR1 466/4885

“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.