SCHEMBL16892256

SCHEMBL16892256

CC(=O)C1(C)CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 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
SCHEMBL11923803 0.88 POLB (0.40) FFAR3POLBLMNATSHRALDH1A1
SCHEMBL2055539 0.80 FFAR3 (0.62) FFAR3POLBLMNATSHRALDH1A1
SCHEMBL6865583 0.78
SCHEMBL2055525 0.78 FFAR3 (0.35) FFAR3POLBLMNATSHRALDH1A1
SCHEMBL811021 0.78
SCHEMBL17574280 0.76 ALDH1A1 (0.48) FFAR3LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL13954105 0.76 FFAR3 (0.48) FFAR3ALDH1A1SMN1; SMN2
SCHEMBL14407687 0.76 ALDH1A1 (0.48) FFAR3LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL12626878 0.76 ALDH1A1 (0.48) FFAR3LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL6866082 0.76 ALDH1A1 (0.48) FFAR3LMNAALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295087-A1 AGONISTS OF ROR GAMMAt BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
US-20230295087-A1 AGONISTS OF ROR GAMMAt BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
WO-2020231766-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-19 WO disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US 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 (3 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-20230295087-A1 AGONISTS OF ROR GAMMAt RORB, RORA, RORC FFAR3 248/4885POLB 2605/4885LMNA 3526/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA FFAR3 663/4885POLB 2057/4885LMNA 4085/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA FFAR3 424/4885POLB 2312/4885LMNA 3963/4885

“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.