SCHEMBL569804

SCHEMBL569804

CC(C)(C)OC(=O)N1CC(O)(c2ccc([Si](C)(C)C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.40
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NR1H2 P55055 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
SCD5 Q86SK9 1/20 0.37
HDAC4 P56524 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL17729489 0.83 MAPT (0.51) RORC
SCHEMBL18588038 0.83 RORC (0.41) RORCNR1H2USP2SMN1; SMN2
SCHEMBL1310475 0.83 RORC (0.49) RORC
SCHEMBL569651 0.83 RORC (0.55) RORCNR1H2
SCHEMBL31084071 0.83 MEN1 (0.52) RORCHTTUSP2SMN1; SMN2POLB
SCHEMBL1309072 0.82 RORC (0.51) RORCATM
SCHEMBL16292154 0.82 GPR119 (0.51) RORCNR1H2
SCHEMBL16874872 0.82 ALDH1A1 (0.51) RORCHTTSMN1; SMN2CTSDCTSE
SCHEMBL20341701 0.81 RORC (0.40) RORCNR1H2USP2SMN1; SMN2CTSD
SCHEMBL21826368 0.81 HTT (0.52) RORCHTTATMNR1H2SMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
US-9073912-B2 Azetidine derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-07-07 US disclosed
US-9073912-B2 Azetidine derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-07-07 US disclosed
US-9073912-B2 Azetidine derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-07-07 US disclosed
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-04-30 US disclosed
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-04-30 US disclosed
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-04-30 US disclosed
EP-2855457-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis Products LLC (US) 2015-04-08 EP disclosed
US-20140371464-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2014-12-18 US disclosed
WO-2013169622-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2013-11-14 WO disclosed
WO-2013116236-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2013-08-08 WO disclosed
WO-2013116236-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2013-08-08 WO disclosed
EP-2601190-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS AH USA 42 LLC (US) 2013-06-12 EP disclosed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US disclosed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US disclosed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US disclosed
WO-2012017359-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-02-09 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 (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-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX RORC 519/4885HTT 2211/4885ATM 3520/4885
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS CYP1B1, ADORA1, QDPR RORC 1226/4885HTT 1298/4885ATM 4802/4885
US-20140371464-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS RDX, CYP2C9, CYP1A2 RORC 106/4885HTT 2670/4885ATM 4570/4885

“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.