SCHEMBL16892280

SCHEMBL16892280

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.56
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
GRM4 Q14833 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
MTOR P42345 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
PLCB1 Q9NQ66 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3470932 1.00 FFAR3 (0.56) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL15733215 0.87 FFAR3 (0.46) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL13740389 0.87 FFAR3 (0.46) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL431288 0.84 FFAR3 (0.59) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL11799188 0.84 FFAR3 (0.59) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL16094029 0.83 FFAR3 (0.52) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL23458958 0.81 FFAR3 (0.62) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL21834034 0.80 FFAR3 (0.54) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL21834030 0.80 FFAR3 (0.54) FFAR3GRM2GRM3GRM4CYP2C19
SCHEMBL19919700 0.80 FFAR3 (0.54) FFAR3GRM2GRM3GRM4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA FFAR3 663/4885GRM2 960/4885GRM3 591/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA FFAR3 424/4885GRM2 753/4885GRM3 415/4885

“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.