SCHEMBL17036739

SCHEMBL17036739

CC(C)(C)OCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 9/20 0.50
ALDH1A1 P00352 1/20 0.42
ABCB11 O95342 1/20 0.40
POLA1 P09884 1/20 0.40
POLG P54098 1/20 0.40
FAP Q12884 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
ENO1 P06733 2/20 0.39
PRKCA P17252 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL17039630 0.85 BTN3A1 (0.53) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL2458617 0.81 BTN3A1 (0.60) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL9891073 0.79 BTN3A1 (0.54) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL27602723 0.79 BTN3A1 (0.54) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL9891072 0.79 BTN3A1 (0.58) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL4758987 0.79 BTN3A1 (0.43) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL17036722 0.77 FAP (0.41) BTN3A1FAP
SCHEMBL10378800 0.77 BTN3A1 (0.50) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL29322963 0.76 BTN3A1 (0.51) BTN3A1ALDH1A1ABCB11POLA1POLG
SCHEMBL13685840 0.76 BTN3A1 (0.41) BTN3A1ALDH1A1ENO1PRKCA

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-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-9732104-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated 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 (3 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 BTN3A1 4453/4885ALDH1A1 3312/4885ABCB11 1308/4885
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 BTN3A1 3429/4885ALDH1A1 2728/4885ABCB11 4060/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 BTN3A1 3429/4885ALDH1A1 2728/4885ABCB11 4060/4885

“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.