SCHEMBL16718971

SCHEMBL16718971

CC(=O)Nc1ncc(S(=O)(=O)N2CCCC2c2ccc(-c3cncn3CCc3ccc(F)cc3)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 9/20 0.40
TRPA1 O75762 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ADRB2 P07550 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MGAT2 Q10469 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL16719065 0.88 OGA (0.39) OGASMN1; SMN2ALDH1A1ADRB2TSHR
SCHEMBL16730967 0.84 TRPA1 (0.39) TRPA1SMN1; SMN2CCNCCDK8
SCHEMBL16719012 0.80 MGAT2 (0.40) OGASMN1; SMN2ALDH1A1GAAHTT
SCHEMBL16720931 0.78 OGA (0.36) OGAMGAT2
SCHEMBL16719007 0.76 MGAT2 (0.40) OGASMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL18134516 0.75 OGA (0.37) OGASMN1; SMN2ALDH1A1ADRB2TSHR
SCHEMBL16719060 0.74 OGA (0.36) OGASMN1; SMN2ALDH1A1ADRB2TSHR
SCHEMBL16719059 0.74 MGAT2 (0.34) OGASMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL16730892 0.74 OGA (0.35) OGASMN1; SMN2GAALMNATP53
SCHEMBL16718985 0.74 MGAT2 (0.39) OGAALDH1A1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP claimed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US claimed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US claimed
EP-3068391-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG Merck Sharp & Dohme Corp. (US) 2016-09-21 EP claimed
WO-2015073308-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO claimed
EP-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP disclosed
EP-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP disclosed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
WO-2015073308-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
WO-2015070366-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-05-21 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-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A43, CYP3A5, CYP3A4 OGA 3511/4885TRPA1 2594/4885SMN1; SMN2 4616/4885

“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.