SCHEMBL2905073

SCHEMBL2905073

CC(C)C(=O)NCc1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.65
RIPK1 Q13546 1/20 0.58
HPGD P15428 5/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PPIA P62937 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL25259336 0.88 SLC1A2 (0.60) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL25242066 0.88 SLC1A2 (0.60) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL25209028 0.88 SLC1A2 (0.60) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL2910863 0.87 SLC1A2 (0.59) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL25216971 0.84 SLC1A2 (0.56) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL25228874 0.84 SLC1A2 (0.56) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL25207395 0.84 SLC1A2 (0.56) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL1397059 0.82 RIPK1 (0.55) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL27472283 0.82 RIPK1 (0.55) SLC1A2RIPK1HPGDALDH1A1MAPT
SCHEMBL12757444 0.82 SLC1A2 (0.47) SLC1A2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
EP-1586552-B1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2010-08-25 EP disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-7326813-B2 Process for producing benzylamine derivative IHARA CHEMICAL INDUSTRY (JP) 2008-02-05 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 US disclosed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 EP 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 (9 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 SLC1A2 4105/4885RIPK1 1935/4885HPGD 253/4885
US-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 SLC1A2 1490/4885RIPK1 4019/4885HPGD 2426/4885
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCD, SCD5, CPT1A SLC1A2 3665/4885RIPK1 2209/4885HPGD 470/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 SLC1A2 3680/4885RIPK1 2162/4885HPGD 954/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 SLC1A2 3530/4885RIPK1 2170/4885HPGD 954/4885
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 SLC1A2 3795/4885RIPK1 2650/4885HPGD 1122/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 SLC1A2 3415/4885RIPK1 682/4885HPGD 1510/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 SLC1A2 3530/4885RIPK1 2170/4885HPGD 954/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B SLC1A2 803/4885RIPK1 3585/4885HPGD 2493/4885

“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.