SCHEMBL8385141

SCHEMBL8385141

CCC1NC(=S)N(C)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 8/20 0.57
ALDH1A1 P00352 4/20 0.53
CYP2C19 P33261 3/20 0.53
CYP2C9 P11712 2/20 0.53
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
THRB P10828 1/20 0.47
IDO1 P14902 1/20 0.47
RIPK1 Q13546 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL12308291 0.84 NPSR1 (0.65) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL14687910 0.80 ALDH1A1 (0.41) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL15026061 0.80 ALDH1A1 (0.41) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL22702838 0.80 ALDH1A1 (0.41) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL12706784 0.75 ALDH1A1 (0.49) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL11822220 0.72 NPSR1 (0.40) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL11739099 0.72 NPSR1 (0.40) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL8671548 0.72 KMT2A (0.51) NPSR1GAAALDH1A1CYP2C19CYP2C9
SCHEMBL791655 0.71
SCHEMBL13182529 0.71

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-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 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-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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 (4 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 NPSR1 4289/4885GAA 2904/4885ALDH1A1 3144/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NPSR1 4558/4885GAA 990/4885ALDH1A1 4348/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NPSR1 4558/4885GAA 990/4885ALDH1A1 4348/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NPSR1 4558/4885GAA 990/4885ALDH1A1 4348/4885

“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.