SCHEMBL1720120

SCHEMBL1720120

CC(C)(O)[C@@H](NC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RIPK1 Q13546 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL4536126 1.00 MAPK1 (0.43) MAPK1MEN1KMT2AGPR88PDK1
SCHEMBL1720123 1.00 MAPK1 (0.43) MAPK1MEN1KMT2AGPR88PDK1
SCHEMBL4338097 0.86 MAPK1 (0.45) MAPK1GPR88OPRK1LMNAHTT
SCHEMBL206627 0.85 MAPK1 (0.45) MAPK1
SCHEMBL1720295 0.85 MAPK1 (0.45) MAPK1
SCHEMBL1720296 0.85 MAPK1 (0.45) MAPK1
SCHEMBL20266799 0.84 PDE2A (0.53) LMNAHTT
SCHEMBL18247937 0.84 PDE2A (0.53) LMNAHTT
SCHEMBL8540917 0.83 LMNA (0.49) MAPK1MEN1KMT2AGPR88OPRK1
SCHEMBL8540915 0.83 LMNA (0.49) MAPK1MEN1KMT2AGPR88OPRK1

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
EP-1819708-B1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 EP disclosed
US-7648988-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-01-19 US disclosed
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases DOLLINGER HORST 2008-06-26 US disclosed
EP-1819708-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
WO-2006058868-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 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-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 MAPK1 3964/4885MEN1 1763/4885KMT2A 2516/4885
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 MAPK1 3964/4885MEN1 1763/4885KMT2A 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.