SCHEMBL20077532

SCHEMBL20077532

CC1=CC(=O)CC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
MT-CO2 P00403 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADORA2B P29275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL2015282 0.83 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1KDM4EMAPT
SCHEMBL24249958 0.79 TLR4 (0.49) ALDH1A1POLBL3MBTL1GAAKMT2A
SCHEMBL1141761 0.79 TLR4 (0.49) ALDH1A1POLBL3MBTL1GAAKMT2A
SCHEMBL17118109 0.79 TLR4 (0.49) ALDH1A1POLBL3MBTL1GAAKMT2A
SCHEMBL17048600 0.75 MMP2 (0.33) MAPT
SCHEMBL17110215 0.75 SERPINA6 (0.34) MAPK1ALDH1A1KMT2ALMNANPSR1
SCHEMBL3780480 0.69 MAPK1 (0.41) MAPK1ALDH1A1NFKB1NFKB2RELA
SCHEMBL9163502 0.69 DDB1 (0.48) MAPK1
SCHEMBL6283782 0.68 MAPK1 (0.46) MAPK1ALDH1A1POLBGAAKMT2A
SCHEMBL31506648 0.68 MAPK1 (0.35) MAPK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110278711-B Tricyclosulfones as rory modulators 百时美施贵宝公司 2023-12-15 CN disclosed
CN-110049985-B Heterocyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2022-05-31 CN disclosed
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-02 US disclosed
EP-3541786-B1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-10435369-B2 Tricyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
US-20190300523-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-10-03 US disclosed
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-05-10 US disclosed
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-05-10 US disclosed
WO-2018071620-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-19 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 (4 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-10435369-B2 Tricyclic sulfones as ROR gamma modulators RORC, RORB, RORA MAPK1 2113/4885ALDH1A1 991/4885NFKB1 605/4885
US-20190300523-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA MAPK1 1823/4885ALDH1A1 788/4885NFKB1 545/4885
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators RORC, RORB, RORA MAPK1 1823/4885ALDH1A1 788/4885NFKB1 545/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA MAPK1 2113/4885ALDH1A1 991/4885NFKB1 605/4885

“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.