SCHEMBL20077533

SCHEMBL20077533

CC(=O)CCC(C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 2/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AAK1 Q2M2I8 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
SCHEMBL30684680 1.00 ALDH1A1 (0.33) ALDH1A1GAANOS1NOS3NOS2
SCHEMBL17995475 0.87 FOLH1 (0.37) GAAMEN1KMT2AAAK1
SCHEMBL17995485 0.84 TSHR (0.40) ALDH1A1GAAMEN1KMT2A
SCHEMBL25787719 0.82 TDP1 (0.38) GAANOS1NOS3NOS2MEN1
SCHEMBL3825539 0.82 L3MBTL1 (0.41) ALDH1A1GAAKMT2A
SCHEMBL24834160 0.80 ALDH1A1 (0.36) ALDH1A1GAANOS1NOS3NOS2
SCHEMBL8747472 0.79 KMT2A (0.33) GAANOS1NOS3NOS2MEN1
SCHEMBL14596708 0.78 PAOX (0.39) ALDH1A1GAANOS1NOS3NOS2
SCHEMBL3752221 0.78 ALDH1A1 (0.38) ALDH1A1GAA
SCHEMBL28173071 0.78 CTSS (0.33) ALDH1A1GAANOS1NOS3NOS2

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 20 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
EP-3526218-B1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-04-21 EP disclosed
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-02 US 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
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-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-20190300523-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-10-03 US disclosed
EP-3541786-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-25 EP disclosed
EP-3526218-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-08-21 EP disclosed
WO-2018089402-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089402-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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
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
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 ALDH1A1 991/4885GAA 1564/4885NOS1 2940/4885
US-20190300523-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA ALDH1A1 788/4885GAA 1326/4885NOS1 2540/4885
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators RORC, RORB, RORA ALDH1A1 788/4885GAA 1326/4885NOS1 2540/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA ALDH1A1 991/4885GAA 1564/4885NOS1 2940/4885

“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.