SCHEMBL16637745

SCHEMBL16637745

CC(O)(CCO)C(F)(F)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.43
NR1H3 Q13133 4/20 0.39
NR1I2 O75469 3/20 0.39
CYP2C19 P33261 2/20 0.39
RORC P51449 3/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 3/20 0.37
PSIP1 O75475 1/20 0.36
RORA P35398 1/20 0.36
RORB Q92753 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL16637944 0.83 HSD11B1 (0.45) HSD11B1NR1H3NR1I2CYP2C19RORC
SCHEMBL30487215 0.78 APOBEC3G (0.41) HSD11B1NR1I2CYP2C19RORCCYP1A2
SCHEMBL6095322 0.78 HSD11B1 (0.44) HSD11B1CYP2C19TSHRPSIP1HTR7
SCHEMBL16637577 0.76 MEN1 (0.38) HSD11B1CYP2C19MEN1CYP3A4CYP2D6
SCHEMBL16637255 0.76 HTR1A (0.42) MEN1KMT2AHTR7
SCHEMBL6053237 0.74 HSD11B1 (0.47) HSD11B1NR1H3CYP2C19ABCC9ABCC8
SCHEMBL2057214 0.71 TSHR (0.57) HSD11B1NR1I2CYP2C19MEN1CYP2D6
SCHEMBL30487220 0.71 APOBEC3G (0.38) HSD11B1NR1I2RORCTSHRPSIP1
SCHEMBL10652867 0.70 TSHR (0.48) HSD11B1NR1H3CYP2C19ABCC9ABCC8
SCHEMBL776228 0.70 HTR6 (0.46) HSD11B1NR1H3TSHRNR1H2PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP 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
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-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO 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 HSD11B1 333/4885NR1H3 46/4885NR1I2 115/4885

“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.