SCHEMBL16892289

SCHEMBL16892289

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
GRM4 Q14833 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRM5 P41594 1/20 0.37
MTOR P42345 1/20 0.37
GRM1 Q13255 1/20 0.37
PLCB1 Q9NQ66 1/20 0.37
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
APLNR P35414 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 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
SCHEMBL16875355 0.86 CYP2C19 (0.42) GRM2GRM3GRM4LMNATSHR
SCHEMBL16875354 0.86 CYP2C19 (0.42) GRM2GRM3GRM4LMNATSHR
SCHEMBL16892274 0.85 GRM2 (0.35) GRM2GRM3GRM4LMNATSHR
SCHEMBL16892203 0.83 RORC (0.35) GRM2GRM3GRM4LMNATSHR
SCHEMBL16892211 0.82 GRM2 (0.36) GRM2GRM3GRM4LMNATSHR
SCHEMBL16887635 0.82 LMNA (0.39) GRM2GRM3GRM4LMNATSHR
SCHEMBL16892209 0.82 GRM2 (0.36) GRM2GRM3GRM4LMNATSHR
SCHEMBL28563596 0.79 CYP4F2 (0.37) GRM2GRM3GRM4LMNATSHR
SCHEMBL18212647 0.79
SCHEMBL19315868 0.79 SERPINA6 (0.32) LMNACYP2C19CYP1A2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP 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 (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 GRM2 960/4885GRM3 591/4885GRM4 914/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA GRM2 753/4885GRM3 415/4885GRM4 709/4885

“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.