SCHEMBL14845839

SCHEMBL14845839

CCc1sc2c(c1C(=O)OC)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 19/20 0.50
CYP2C9 P11712 10/20 0.50
CYP3A4 P08684 6/20 0.50
ABCB11 O95342 1/20 0.50
SLC16A3 O15427 1/20 0.43

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
SCHEMBL10292857 0.91 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3827762 0.90 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL7935749 0.88 SLC16A1 (0.48) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3826819 0.86 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL4804153 0.82 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3830716 0.81 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3828120 0.81 SLC16A1 (0.66) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5096845 0.81 SLC16A1 (0.67) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3829809 0.80 SLC16A1 (0.78) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3833822 0.80 SLC16A1 (0.50) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3

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 4 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-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

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-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 SLC16A1 3634/4885CYP2C9 4746/4885CYP3A4 4658/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 SLC16A1 3634/4885CYP2C9 4746/4885CYP3A4 4658/4885

“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.