SCHEMBL17032893

SCHEMBL17032893

CC(C)NC(=O)OC1CCC(C)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
DPP4 P27487 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 2/20 0.33
CCNE1 P24864 4/20 0.31
CDK2 P24941 4/20 0.31
GSK3B P49841 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
IDO1 P14902 1/20 0.30
UGT8 Q16880 1/20 0.30

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
SCHEMBL17032892 0.92 KCNA3 (0.35) KCNA3DPP4CYP3A4TSHRCYP2C19
SCHEMBL17053411 0.87 KCNA3 (0.40) KCNA3DPP4CYP3A4TSHRCYP2C19
SCHEMBL17050226 0.83 KCNA3 (0.37) KCNA3DPP4CYP3A4TSHRCYP2C19
SCHEMBL17032849 0.81 KCNA3 (0.40) KCNA3DPP4CYP3A4TSHRCYP2C19
SCHEMBL14501550 0.75 EPHX1 (0.47) KCNA3DPP4CYP3A4TSHRCYP2C19
SCHEMBL18827617 0.75 KCNQ3 (0.35) KCNA3CYP3A4TSHRCYP2C19IDO1
SCHEMBL17032844 0.75 GPBAR1 (0.33) KCNA3CYP3A4TSHRGPBAR1
SCHEMBL8395605 0.74 EPHX1 (0.50) KCNA3DPP4CYP3A4TSHRCYP2C19
SCHEMBL8243916 0.74 EPHX1 (0.55) KCNA3DPP4CYP3A4TSHRCYP2C19
SCHEMBL17050202 0.73 KCNA3 (0.33) KCNA3CYP3A4TSHRGPBAR1

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-9643986-B2 Factor D inhibitors useful for treating inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (5 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-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI KCNA3 2275/4885DPP4 3920/4885CYP3A4 1255/4885
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH KCNA3 2755/4885DPP4 3264/4885CYP3A4 3388/4885
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI KCNA3 3495/4885DPP4 3877/4885CYP3A4 4376/4885
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders CFD, TFPI, TFPI2 KCNA3 3818/4885DPP4 900/4885CYP3A4 4361/4885
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI KCNA3 2029/4885DPP4 3672/4885CYP3A4 1037/4885

“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.