SCHEMBL16892269

SCHEMBL16892269

CCC1(C(C)=O)CCN(C(C)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 3/20 0.39
PIK3CD O00329 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP2C9 P11712 4/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.36
EPHX2 P34913 1/20 0.35
HPGD P15428 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
SCHEMBL16892248 0.83 CYP1A2 (0.41) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL16886313 0.82 CYP4F2 (0.40) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL6059982 0.79
SCHEMBL13819952 0.78 CYP1A2 (0.44) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL19738853 0.77 CYP1A2 (0.43) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL13804292 0.77 CYP1A2 (0.43) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL14878611 0.77 CYP1A2 (0.43) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL16887685 0.76 MEN1 (0.39) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL25628746 0.75 CYP1A2 (0.41) SMN1; SMN2CYP1A2TDP1CYP2D6KDM4E
SCHEMBL11428508 0.75

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 SMN1; SMN2 1758/4885CYP1A2 398/4885TDP1 2490/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 1871/4885CYP1A2 430/4885TDP1 2482/4885

“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.