SCHEMBL169319

SCHEMBL169319

CC(C)(C)OC(=O)N1CCc2cc(COS(C)(=O)=O)ccc2C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 4/20 0.65
▸ NR1H2 P55055 1/20 0.55
▸ ABHD6 Q9BV23 2/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ GPR119 Q8TDV5 9/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40

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
SCHEMBL30739951 1.00 ESR2 (0.65) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL2284685 0.96 NR1H2 (0.61) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL29883466 0.96 NR1H2 (0.61) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL1789713 0.93 ESR2 (0.55) ESR2NR1H2GPR119
SCHEMBL15878872 0.91 ESR2 (0.51) ESR2NR1H2ABHD6GPR119MAPK1
SCHEMBL29155326 0.85 ESR2 (0.43) ESR2TMEM97SIGMAR1ESR1
SCHEMBL3176570 0.84 ABHD6 (0.47) ESR2ABHD6TMEM97SIGMAR1ESR1
SCHEMBL14768550 0.83 ESR2 (0.70) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL29407529 0.83 ESR2 (0.70) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL168265 0.83 ESR2 (0.70) ESR2NR1H2ABHD6TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174615-A1 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-30 — — US disclosed
EP-4320101-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2024-02-14 — — EP disclosed
CN-117412954-A Synthesis of rapamycin analog compounds 锐新医药公司 2024-01-16 — — CN disclosed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 — — US disclosed
WO-2022216900-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2022-10-13 — — WO disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 — — US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 — — US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 — — US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 — — US disclosed
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2018-12-13 — — US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
EP-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 — — EP disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 — — US disclosed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 — — 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 (11 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE HTR1F, HTR3C, HTR6 ESR2 1065/4885NR1H2 311/4885ABHD6 1486/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 ESR2 2386/4885NR1H2 278/4885ABHD6 1322/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 ESR2 2593/4885NR1H2 637/4885ABHD6 2346/4885
US-20240174615-A1 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS MLST8, MTOR, RICTOR ESR2 2865/4885NR1H2 3344/4885ABHD6 1503/4885

“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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