SCHEMBL4116291

SCHEMBL4116291

CS(=O)(=O)O.NC(=O)N(N)Cc1cc(F)cc(F)c1

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 1/20 0.31
BMP1 P13497 1/20 0.38
SLC9A1 P19634 3/20 0.36
MAPK8 P45983 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
EPHX1 P07099 1/20 0.32
IDO1 P14902 1/20 0.32
NTRK1 P04629 1/20 0.32
METAP2 P50579 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL13903488 0.90 IDO1 (0.38) BMP1SLC9A1MAPK8HDAC3HDAC1
Formic Acid SCHEMBL28749409 0.83 ERN1 (0.34) MAPK8HDAC3HDAC1HDAC2CLK1
SCHEMBL4112662 0.75 GAA (0.44) MEN1KMT2A
SCHEMBL15270801 0.72 EPHX2 (0.45)
SCHEMBL28269652 0.72 IDO1 (0.38) EPHX1IDO1NTRK1
SCHEMBL4106281 0.71 TAS2R14 (0.49) MAPK8MEN1KMT2A
SCHEMBL4127627 0.69 MAPK8 (0.35) BMP1SLC9A1MAPK8MEN1KMT2A
SCHEMBL30481859 0.67 IDO1 (0.36) BMP1SLC9A1MAPK8CLK1CLK2
Hydrochloric Acid SCHEMBL7995973 0.65 GRIN2D (0.33) BMP1MAPK8MEN1KMT2ACLK1
SCHEMBL19949104 0.65 KMT2A (0.45) MEN1KMT2ACLK1CLK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD SLC6A3 2670/4885BMP1 4725/4885SLC9A1 1114/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD SLC6A3 2865/4885BMP1 4470/4885SLC9A1 1875/4885

“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.