SCHEMBL20560829

SCHEMBL20560829

CC(C)(C)OC(=O)N1CC(O)(c2cccc(O)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
RORC P51449 7/20 0.41
TACR1 P25103 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
USP30 Q70CQ3 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
KDM1A O60341 1/20 0.38
PDK2 Q15119 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
SCHEMBL29490365 1.00 ESR2 (0.46) ESR2RORCTACR1GPR119USP30
SCHEMBL9901785 0.85 GPR119 (0.44) RORCTACR1GPR119USP30PDK2
SCHEMBL15212259 0.85 RORC (0.48) RORCTACR1GPR119USP30TSHR
SCHEMBL31125398 0.85 STS (0.47) ESR2RORCGPR119USP30
SCHEMBL21826203 0.85 STS (0.47) ESR2RORCGPR119USP30
SCHEMBL1309072 0.84 RORC (0.51) RORCTACR1GPR119TSHRALOX15
SCHEMBL31084094 0.84 ALDH1A1 (0.52) RORC
SCHEMBL15689795 0.83 TACR1 (0.47) RORCTACR1TSHR
SCHEMBL29968258 0.83 RORC (0.39) ESR2RORCTACR1GPR119USP30
SCHEMBL28871282 0.83 RORC (0.39) ESR2RORCTACR1GPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528812-B2 Pyrazolopyrimidine aryl ether inhibitors of JAK kinases and uses thereof GENENTECH, INC. (US) 2026-01-20 US disclosed
CN-110650959-B Therapeutic compounds and compositions and methods of use thereof 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
US-20220106322-A1 PYRAZOLOPYRIMIDINE ARYL ETHER INHIBITORS OF JAK KINASES AND USES THEREOF GENENTECH, INC. (US) 2022-04-07 US disclosed
CN-114008050-A Pyrazolopyrimidine aryl ether inhibitors of JAK kinases and uses thereof 豪夫迈·罗氏有限公司 2022-02-01 CN disclosed
US-20200352951-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-11-12 US disclosed
US-20200352951-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-11-12 US disclosed
CN-110650959-A Therapeutic compounds and compositions and methods of use thereof 豪夫迈·罗氏有限公司 2020-01-03 CN disclosed
US-20190240227-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
US-10307426-B2 Therapeutic compounds and compositions, and methods of use thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-10307426-B2 Therapeutic compounds and compositions, and methods of use thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180333416-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-11-22 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 (6 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-20220106322-A1 PYRAZOLOPYRIMIDINE ARYL ETHER INHIBITORS OF JAK KINASES AND USES THEREOF JAK2, JAK1, JAK3 ESR2 2790/4885RORC 186/4885TACR1 4750/4885
US-20180333416-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ESR2 4195/4885RORC 140/4885TACR1 4415/4885
US-20190240227-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ESR2 3644/4885RORC 92/4885TACR1 4060/4885
US-20200352951-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ESR2 3897/4885RORC 163/4885TACR1 4351/4885
US-12528812-B2 Pyrazolopyrimidine aryl ether inhibitors of JAK kinases and uses thereof JAK1, JAK2, CNKSR1 ESR2 1059/4885RORC 37/4885TACR1 1535/4885
US-10307426-B2 Therapeutic compounds and compositions, and methods of use thereof JAK2, JAK1, JAK3 ESR2 4195/4885RORC 140/4885TACR1 4415/4885

“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.