SCHEMBL855147

SCHEMBL855147

Cc1cccc(CC(=O)C(C)(C)C)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
RIPK1 Q13546 1/20 0.36
CTBP2 P56545 1/20 0.36
POLB P06746 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SHBG P04278 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7943361 0.84 RIPK1 (0.50) RIPK1GABRA1GABRB2
SCHEMBL13543165 0.82 CTBP2 (0.51) CTBP2SHBGLMNATSHRHSD11B1
SCHEMBL868679 0.80 PTGS2 (0.54) PTGS2CTBP2MEN1KMT2AKDM4E
SCHEMBL18751691 0.77 HSD11B1 (0.47) POLBGABRA1GABRB2TSHRHSD11B1
SCHEMBL8677292 0.77 RIPK1 (0.49) RIPK1LMNAHSD11B1KDM4ENPC1
SCHEMBL8572797 0.76 SMN1; SMN2 (0.40) PTGS2POLBMEN1KMT2ANPC1
SCHEMBL24915810 0.75 KDM4E (0.46) PTGS2RIPK1CTBP2POLBLMNA
SCHEMBL5673265 0.74 DUSP3 (0.47) GABRA1GABRB2HSD11B1KMT2A
SCHEMBL170934 0.73 GABRA1 (0.46) PTGS2POLBGABRA1GABRB2SHBG
SCHEMBL13012097 0.73 RIPK1 (0.49) RIPK1HSD11B1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 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 (6 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-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTGS2 2625/4885RIPK1 507/4885CTBP2 2486/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTGS2 2625/4885RIPK1 507/4885CTBP2 2486/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTGS2 2625/4885RIPK1 507/4885CTBP2 2486/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTGS2 2625/4885RIPK1 507/4885CTBP2 2486/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTGS2 2625/4885RIPK1 507/4885CTBP2 2486/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTGS2 2625/4885RIPK1 507/4885CTBP2 2486/4885

“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.