SCHEMBL16892193

SCHEMBL16892193

CNC(=O)C(=O)N1CCC(C(C)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
REV1 Q9UBZ9 1/20 0.33
EPHX2 P34913 2/20 0.33
EPHX1 P07099 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL16886320 0.80 LMNA (0.40) GAAMAPTLMNAPOLBSMN1; SMN2
SCHEMBL13629873 0.80 POLB (0.60) LMNAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL16892267 0.79 MAPT (0.42) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL20827094 0.79 EPHX2 (0.50) MAPTPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL22962051 0.78 GNAI3 (0.41) GAAMAPTLMNAPOLBALDH1A1
SCHEMBL13804074 0.76 GAA (0.42) GAAMAPTLMNAPOLBSMN1; SMN2
SCHEMBL13116120 0.74 SMN1; SMN2 (0.44) GAALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL190928 0.74 CYP1A2 (0.48) SMN1; SMN2EPHX2EPHX1
SCHEMBL20880179 0.73 GAA (0.37) GAAMAPTLMNAPOLBSMN1; SMN2
SCHEMBL1137939 0.73 LMNA (0.41) GAAMAPTLMNASMN1; SMN2MEN1

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 GAA 1742/4885MAPT 385/4885LMNA 4085/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA GAA 1512/4885MAPT 314/4885LMNA 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.