SCHEMBL15540339

SCHEMBL15540339

CS(=O)(=O)OC1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
PTGES O14684 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL16691530 0.81 HSP90AA1 (0.43) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL8308233 0.79 CHRM4 (0.47) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL8182657 0.78 MEN1 (0.46) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL8172174 0.77 CYP19A1 (0.45) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL5474066 0.76 IDO1 (0.58) ALDH1A1LMNA
SCHEMBL8312961 0.75 HSP90AA1 (0.46) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL16691532 0.75 HSP90AA1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6478814 0.75 HSP90AA1 (0.47) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL7509358 0.75 HSP90AA1 (0.47) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL30073945 0.75 HSP90AA1 (0.47) MEN1KMT2AALDH1A1MAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846794-B1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-01 EP disclosed
EP-2846794-B1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-01 EP disclosed
US-9266827-B2 Bicyclic sulfone compounds for inhibition of RORgamma activity and the treatment of disease MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-05-07 US disclosed
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-05-07 US disclosed
EP-2846794-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORy ACTIVITY AND THE TREATMENT OF DISEASE Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
WO-2013169588-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORy ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO 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 (1 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-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA CYP19A1 128/4885MEN1 4716/4885KMT2A 1780/4885

“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.