SCHEMBL4138709

SCHEMBL4138709

O=C(O)CC(F)(F)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.48
HIF1A Q16665 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
AKR1B1 P15121 1/20 0.46
CYP2C19 P33261 3/20 0.44
KEAP1 Q14145 1/20 0.43
FDPS P14324 1/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CES2 O00748 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL6276750 0.84 SMN1; SMN2 (0.50) CES1HIF1ASMN1; SMN2AKR1B1CYP2C19
SCHEMBL28028200 0.80 KEAP1 (0.50) CES1HIF1ASMN1; SMN2AKR1B1CYP2C19
SCHEMBL6438143 0.80 HIF1A (0.55) CES1HIF1ASMN1; SMN2AKR1B1CYP2C19
SCHEMBL19224281 0.79 SLC6A2 (0.50) CES1HIF1ASMN1; SMN2CYP2C19FDPS
SCHEMBL15619550 0.77 SMN1; SMN2 (0.53) CES1HIF1ASMN1; SMN2AKR1B1CYP2C19
SCHEMBL4133298 0.77 PPID (0.54) SMN1; SMN2ALDH1A1
SCHEMBL2008546 0.76 CYP1A2 (0.46) CES1HIF1ASMN1; SMN2CYP2C19FDPS
SCHEMBL7289855 0.75 HIF1A (0.53) CES1HIF1ASMN1; SMN2AKR1B1CYP2C19
SCHEMBL473504 0.75 CYP2C19 (0.53) HIF1ASMN1; SMN2AKR1B1CYP2C19KEAP1
SCHEMBL8153532 0.74 SMN1; SMN2 (0.57) CES1HIF1ASMN1; SMN2AKR1B1CYP2C19

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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
EP-2001897-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS Syndexa Pharmaceuticals Corporation (US) 2008-12-17 EP disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 CES1 81/4885HIF1A 471/4885SMN1; SMN2 4422/4885

“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.