SCHEMBL7944970

SCHEMBL7944970

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCC(O)C3)c(CC(C)(C)C)sc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.68
CYP2C9 P11712 12/20 0.68
CYP3A4 P08684 7/20 0.64
SLC16A7 O60669 1/20 0.63
SLC16A3 O15427 1/20 0.48

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
SCHEMBL10293348 0.92 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL14845838 0.90 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL10292856 0.88 SLC16A1 (0.68) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL5864717 0.80 SLC16A1 (0.83) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL8144478 0.79 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7935749 0.78 SLC16A1 (0.48) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL29818663 0.78 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A7
Hydrochloric Acid SCHEMBL30148484 0.78 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7005642 0.76 SLC16A1 (0.66) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL7005454 0.75 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 SLC16A1 4571/4885CYP2C9 4869/4885CYP3A4 4851/4885

“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.