SCHEMBL17583176

SCHEMBL17583176

CCOC(=O)C(F)(F)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ ABCB11 O95342 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC5A1 P13866 1/20 0.39
▸ SLC5A2 P31639 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL17420502 0.87 ALDH1A1 (0.47) POLBABCB11CYP1A2CYP3A4TSHR
SCHEMBL17583161 0.85 ALDH1A1 (0.39) POLBABCB11CYP1A2CYP3A4TSHR
SCHEMBL17420547 0.85 ACACB (0.39) POLBABCB11CYP1A2CYP3A4TSHR
SCHEMBL21745527 0.84 PLAAT3 (0.41) ALDH1A1
SCHEMBL14466833 0.83 KCNQ3 (0.42) POLBL3MBTL1NPC1RAB9AGAA
SCHEMBL3891001 0.82 KDM4E (0.48) POLBCYP1A2CYP3A4MAPTKMT2A
SCHEMBL161047 0.81 MAPT (0.42) POLBCYP1A2MAPTMEN1KMT2A
SCHEMBL17113764 0.81 POLB (0.49) POLBTSHRMAPTL3MBTL1NPC1
SCHEMBL20406093 0.81 KMT2A (0.41) POLBMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL14332032 0.80 HTT (0.46) POLBABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2023-01-10 — — US disclosed
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2023-01-10 — — US disclosed
EP-3555106-B1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2022-03-09 — — EP disclosed
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2021-06-01 — — US disclosed
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2021-06-01 — — US disclosed
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-07-23 — — US disclosed
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-07-23 — — US disclosed
US-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-06-25 — — US disclosed
US-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-06-25 — — US disclosed
EP-3555086-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2019-10-23 — — EP disclosed
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-10-25 — — US disclosed
WO-2018112084-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-06-21 — — WO disclosed
WO-2018112094-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-06-21 — — WO disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 — — US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 — — US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 — — 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 (7 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-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP POLB 1662/4885ABCB11 2365/4885CYP1A2 745/4885
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B POLB 2316/4885ABCB11 2791/4885CYP1A2 1581/4885
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP POLB 2148/4885ABCB11 4203/4885CYP1A2 128/4885
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use BACE1, BACE2, APP POLB 2148/4885ABCB11 4203/4885CYP1A2 128/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B POLB 2316/4885ABCB11 2791/4885CYP1A2 1581/4885
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use BACE1, BACE2, APP POLB 1662/4885ABCB11 2365/4885CYP1A2 745/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B POLB 2316/4885ABCB11 2791/4885CYP1A2 1581/4885

“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.

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