SCHEMBL17050226

SCHEMBL17050226

CC(C)NC(=O)OC1CCCC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
EPHX1 P07099 2/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP4 P27487 2/20 0.33
IDO1 P14902 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
GSK3B P49841 1/20 0.32
MAPK8 P45983 1/20 0.31
SCN9A Q15858 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31

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
SCHEMBL17053411 0.92 KCNA3 (0.40) KCNA3EPHX1CYP3A4TSHRCYP2C19
SCHEMBL17032892 0.88 KCNA3 (0.35) KCNA3EPHX1CYP3A4TSHRCYP2C19
SCHEMBL17035439 0.85 EPHX1 (0.38) KCNA3EPHX1IDO1SMN1; SMN2MAPK8
SCHEMBL17032893 0.83 KCNA3 (0.38) KCNA3EPHX1CYP3A4TSHRCYP2C19
SCHEMBL21547578 0.81 EPHX1 (0.61) EPHX1SMN1; SMN2CCNE1CDK2GSK3B
SCHEMBL20798246 0.80 CYP3A4 (0.35) CYP3A4TSHRCYP2C19MAPK8
SCHEMBL18827617 0.79 KCNQ3 (0.35) KCNA3CYP3A4TSHRCYP2C19IDO1
SCHEMBL17032849 0.79 KCNA3 (0.40) KCNA3EPHX1CYP3A4TSHRCYP2C19
SCHEMBL8243916 0.79 EPHX1 (0.55) KCNA3EPHX1CYP3A4TSHRCYP2C19
SCHEMBL8395605 0.79 EPHX1 (0.50) KCNA3EPHX1CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110418-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2019-11-06 EP disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20170226142-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
US-20170226142-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
WO-2015130806-A9 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-08-11 WO disclosed
WO-2015130845-A9 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-06-30 WO disclosed
WO-2015130830-A9 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
WO-2015130842-A9 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-05-19 WO disclosed
WO-2015130830-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130795-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130845-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130838-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130806-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130842-A2 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
WO-2015130784-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO 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-10005802-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, CFH KCNA3 2755/4885EPHX1 1777/4885CYP3A4 3388/4885
US-20170226142-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders CFD, TFPI, TFPI2 KCNA3 3818/4885EPHX1 2616/4885CYP3A4 4361/4885

“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.