SCHEMBL16637255

SCHEMBL16637255

CC(O)(CCOc1ccc(Br)cc1)C(F)(F)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARA Q07869 1/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AR P10275 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16637745 0.76 HSD11B1 (0.43) HTR7MEN1KMT2A
SCHEMBL16637577 0.73 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16637944 0.72 HSD11B1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL16637914 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EPPARASMN1; SMN2LMNA
SCHEMBL21991343 0.68 PPARA (0.59) MEN1KMT2AALDH1A1KDM4EPPARA
SCHEMBL16647614 0.67 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EPPARA
SCHEMBL6053440 0.67 KCNA3 (0.47) HTR1AHTR7PPARAL3MBTL1
SCHEMBL17069861 0.67 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4EPPARA
SCHEMBL1697810 0.67 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28748914 0.67 HSD11B1 (0.45) ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
EP-3055288-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 HTR1A 486/4885HTR7 576/4885MEN1 4493/4885

“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.