SCHEMBL21358643

SCHEMBL21358643

CCc1cc(C(=O)N(C)OC)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
UCHL1 P09936 1/20 0.36
CXCR2 P25025 4/20 0.36
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.31
P4HB P07237 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL18348139 0.87 HSP90AA1 (0.39) HSP90AA1HSP90AB1UCHL1CXCR2PDE4A
SCHEMBL17452560 0.82 UCHL1 (0.41) UCHL1CXCR2MEN1KMT2AALDH1A1
SCHEMBL21359074 0.81 HSP90AA1 (0.36) MLYCDHSP90AA1HSP90AB1UCHL1CLK1
SCHEMBL570468 0.77 P4HB (0.47) MLYCDP4HBDGAT1
SCHEMBL2741830 0.75 P4HB (0.43) MLYCDCLK1DYRK1ADYRK1BMEN1
SCHEMBL18340042 0.73 ERN1 (0.39) HSP90AA1HSP90AB1UCHL1MEN1KMT2A
SCHEMBL21361324 0.73 MLYCD (0.43) MLYCDHSP90AA1HSP90AB1CLK1DYRK1A
SCHEMBL31111473 0.72 HSD17B3 (0.37) UCHL1CXCR2HIF1A
SCHEMBL204977 0.72 CXCR2 (0.39) UCHL1CXCR2MEN1KMT2AALDH1A1
SCHEMBL17707756 0.72 CXCR2 (0.39) UCHL1CXCR2PDE4BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-04-07 US disclosed
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-04-07 US disclosed
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2022-04-07 US disclosed
US-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
CN-112292124-A Bicyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2021-01-29 CN disclosed
EP-3765009-A1 BICYCLIC ROR-GAMMA MODULATORS Escalier Biosciences, BV (US) 2021-01-20 EP disclosed
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 EP disclosed
CN-112118841-A Spirocyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2020-12-22 CN disclosed
WO-2019177996-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 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 (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-11242350-B2 Spirocyclic ROR-gamma modulators RORA, RORC, RORB MLYCD 4092/4885HSP90AA1 854/4885HSP90AB1 830/4885
US-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB MLYCD 3627/4885HSP90AA1 1901/4885HSP90AB1 1680/4885
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MLYCD 3583/4885HSP90AA1 1903/4885HSP90AB1 1768/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MLYCD 4092/4885HSP90AA1 854/4885HSP90AB1 830/4885
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MLYCD 4180/4885HSP90AA1 649/4885HSP90AB1 693/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MLYCD 3583/4885HSP90AA1 1903/4885HSP90AB1 1768/4885

“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.