SCHEMBL16892296

SCHEMBL16892296

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.54
SELP P16109 2/20 0.54
SELE P16581 2/20 0.54
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
FASN P49327 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 2/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL16892330 1.00 SELL (0.54) SELLSELPSELEALDH1A1GAA
SCHEMBL18214990 1.00 SELL (0.54) SELLSELPSELEALDH1A1GAA
SCHEMBL1663257 0.90 FASN (0.50) SELLSELPSELEALDH1A1GAA
SCHEMBL11682924 0.89 MTNR1A (0.50) ALDH1A1FASNMTNR1AMTNR1BLMNA
SCHEMBL256673 0.89
Hydrochloric Acid SCHEMBL28162204 0.87
SCHEMBL23772483 0.85 FASN (0.42) SELLSELPSELEALDH1A1FASN
SCHEMBL14752911 0.85 FASN (0.42) SELLSELPSELEALDH1A1FASN
SCHEMBL12233202 0.85 FASN (0.42) SELLSELPSELEALDH1A1FASN
SCHEMBL22721998 0.83 MTNR1A (0.44) SELLSELPSELEALDH1A1FASN

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 SELL 1059/4885SELP 1096/4885SELE 951/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA SELL 1236/4885SELP 1453/4885SELE 1529/4885

“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.