SCHEMBL20077522

SCHEMBL20077522

COC(=O)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
BTK Q06187 1/20 0.36
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
DGAT1 O75907 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL30684661 0.93 HRH3 (0.37) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL818581 0.87 CHRNB2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3646231 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3640335 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4228795 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1296457 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10210925 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20128072 0.80 CHRNB2 (0.40) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1296976 0.80 HRH3 (0.41) BTKMAPK1HRH3CHRM2CHRM3
SCHEMBL6159675 0.79 DGAT1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-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
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
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 SMN1; SMN2 2018/4885CHRNB2 936/4885CHRNA4 865/4885
US-20190300523-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 1501/4885CHRNB2 942/4885CHRNA4 966/4885
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators RORC, RORB, RORA SMN1; SMN2 1501/4885CHRNB2 942/4885CHRNA4 966/4885
US-20180127368-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 2018/4885CHRNB2 936/4885CHRNA4 865/4885

“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.