SCHEMBL16730892

SCHEMBL16730892

CC(=O)Nc1ncc(S(=O)(=O)N2CCc3cccc(-c4cncn4CCc4ccc(F)cc4)c3C2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 7/20 0.35
BCL2L1 Q07817 1/20 0.34
MGAT2 Q10469 2/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
NAMPT P43490 1/20 0.33
P2RX3 P56373 1/20 0.32
SCN9A Q15858 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL16719059 0.94 MGAT2 (0.34) OGABCL2L1MGAT2LPAR1LPAR2
SCHEMBL16730970 0.87 TSHR (0.34) BCL2L1P2RX3SMN1; SMN2MEN1KMT2A
SCHEMBL16730891 0.86 MEN1 (0.33) BCL2L1NAMPTP2RX3SMN1; SMN2MEN1
SCHEMBL16720931 0.86 OGA (0.36) OGAMGAT2LPAR1LPAR2SCN9A
SCHEMBL16719028 0.79 SCN9A (0.39) P2RX3SCN9AMEN1KMT2A
SCHEMBL20170500 0.79 HTR1A (0.31)
SCHEMBL16718968 0.79 DRD3 (0.35) P2RX3SCN9AMEN1HPGDKMT2A
SCHEMBL16719065 0.78 OGA (0.39) OGAMGAT2SMN1; SMN2CCNE2CCNE1
SCHEMBL16718973 0.78 ADRA2C (0.30)
SCHEMBL20169617 0.78 ADRA2C (0.30)

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-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-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 3511/4885BCL2L1 4527/4885MGAT2 1869/4885

“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.